N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide;N-(1-acetyl-2-ethenylcyclopropyl)-4-methylpyrrolidine-2-carboxamide

C27H42N4O4 — CID 159935792

IUPACN-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide;N-(1-acetyl-2-ethenylcyclopropyl)-4-methylpyrrolidine-2-carboxamide
SMILESC=CC1CC1(NC(=O)C1CC(C)CN1)C(C)=O.C=CC1CC1(NC(=O)C1CC(C)CN1C)C(C)=O
InChIInChI=1S/C14H22N2O2.C13H20N2O2/c1-5-11-7-14(11,10(3)17)15-13(18)12-6-9(2)8-16(12)4;1-4-10-6-13(10,9(3)16)15-12(17)11-5-8(2)7-14-11/h5,9,11-12H,1,6-8H2,2-4H3,(H,15,18);4,8,10-11,14H,1,5-7H2,2-3H3,(H,15,17)
InChIKeyOAFTXZRAFUUFKT-UHFFFAOYSA-N
MW486.66 g/mol
LogP1.61
Rot. Bonds8

About N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide;N-(1-acetyl-2-ethenylcyclopropyl)-4-methylpyrrolidine-2-carboxamide

N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide;N-(1-acetyl-2-ethenylcyclopropyl)-4-methylpyrrolidine-2-carboxamide (PubChem CID 159935792) has the molecular formula C27H42N4O4 and a molecular weight of 486.66 g/mol. Its IUPAC name is N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide;N-(1-acetyl-2-ethenylcyclopropyl)-4-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide;N-(1-acetyl-2-ethenylcyclopropyl)-4-methylpyrrolidine-2-carboxamide
PubChem CID159935792
Molecular FormulaC27H42N4O4
Molecular Weight486.66 g/mol
Exact Mass486.32
IUPAC NameN-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide;N-(1-acetyl-2-ethenylcyclopropyl)-4-methylpyrrolidine-2-carboxamide
SMILESC=CC1CC1(NC(=O)C1CC(C)CN1)C(C)=O.C=CC1CC1(NC(=O)C1CC(C)CN1C)C(C)=O
InChIInChI=1S/C14H22N2O2.C13H20N2O2/c1-5-11-7-14(11,10(3)17)15-13(18)12-6-9(2)8-16(12)4;1-4-10-6-13(10,9(3)16)15-12(17)11-5-8(2)7-14-11/h5,9,11-12H,1,6-8H2,2-4H3,(H,15,18);4,8,10-11,14H,1,5-7H2,2-3H3,(H,15,17)
InChIKeyOAFTXZRAFUUFKT-UHFFFAOYSA-N
XLogP1.61
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

trans-ethyl (1R,2S)-2-ethenyl-1-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate;hydrochloride
CID 67330424
2-[(1-acetyl-2-ethenylcyclopropyl)carbamoyl]-4-hydroxycyclopentane-1-carboxylic acid
CID 59169472
N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-4-hydroxypyrrolidine-2-carboxamide
CID 23595529
trans-(1R,2S)-1-[[(2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-methylpyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid
CID 70229204
1-[(1R,2S)-2-ethenyl-1-(methylamino)cyclopropyl]ethanone
CID 59493438
(2S,4R)-N-[(1R)-1-acetyl-2-ethenylcyclopropyl]-4-(7-methyl-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxamide
CID 59990395
(2S,4R)-2-[[(1S,2R)-2-ethenyl-1-ethoxycarbonylcyclopropyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylic acid
CID 90874771
1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone
CID 59902800
prop-1-en-2-yl (2S)-2-[[(1R,2S)-2-ethenyl-1-methoxycarbonylcyclopropyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 89145443
tert-butyl N-[(1S,2R)-1-acetyl-2-ethenylcyclopropyl]carbamate
CID 59554078
[(3S,5S)-5-[[(2S)-2-ethenyl-1-methoxycarbonylcyclopropyl]carbamoyl]pyrrolidin-3-yl] 4-nitrobenzoate
CID 70339706
trans-(1R,2S)-2-ethenyl-1-[[(2S,4R)-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxypyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 89006266

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide;N-(1-acetyl-2-ethenylcyclopropyl)-4-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide;N-(1-acetyl-2-ethenylcyclopropyl)-4-methylpyrrolidine-2-carboxamide (CID 159935792) is N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide;N-(1-acetyl-2-ethenylcyclopropyl)-4-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide;N-(1-acetyl-2-ethenylcyclopropyl)-4-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide;N-(1-acetyl-2-ethenylcyclopropyl)-4-methylpyrrolidine-2-carboxamide is C=CC1CC1(NC(=O)C1CC(C)CN1)C(C)=O.C=CC1CC1(NC(=O)C1CC(C)CN1C)C(C)=O.
What is the InChIKey of N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide;N-(1-acetyl-2-ethenylcyclopropyl)-4-methylpyrrolidine-2-carboxamide?
The InChIKey is OAFTXZRAFUUFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.C13H20N2O2/c1-5-11-7-14(11,10(3)17)15-13(18)12-6-9(2)8-16(12)4;1-4-10-6-13(10,9(3)16)15-12(17)11-5-8(2)7-14-11/h5,9,11-12H,1,6-8H2,2-4H3,(H,15,18);4,8,10-11,14H,1,5-7H2,2-3H3,(H,15,17).
What are the key properties of N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide;N-(1-acetyl-2-ethenylcyclopropyl)-4-methylpyrrolidine-2-carboxamide?
N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide;N-(1-acetyl-2-ethenylcyclopropyl)-4-methylpyrrolidine-2-carboxamide has a molecular weight of 486.66 g/mol, XLogP of 1.61, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide;N-(1-acetyl-2-ethenylcyclopropyl)-4-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 159935792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).