N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide

C16H28N2O — CID 106980144

IUPACN-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCN(C(=O)C1(C(C)C)CCNC1)C1CCCC1
InChIInChI=1S/C16H28N2O/c1-4-11-18(14-7-5-6-8-14)15(19)16(13(2)3)9-10-17-12-16/h4,13-14,17H,1,5-12H2,2-3H3
InChIKeyHLTSIRMKNUMGIQ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.58
Rot. Bonds5

About N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide

N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide (PubChem CID 106980144) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide
PubChem CID106980144
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCN(C(=O)C1(C(C)C)CCNC1)C1CCCC1
InChIInChI=1S/C16H28N2O/c1-4-11-18(14-7-5-6-8-14)15(19)16(13(2)3)9-10-17-12-16/h4,13-14,17H,1,5-12H2,2-3H3
InChIKeyHLTSIRMKNUMGIQ-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N-prop-2-enyl-3-propylpiperidine-3-carboxamide
CID 63131593
cyclobutyl-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982353
1-(3-propan-2-ylpyrrolidin-3-yl)pent-4-en-1-one
CID 106982177
(2,6-dimethylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106979589
2-cyclohexyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982112
N-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979682
(2S)-2-amino-N-cyclopentyl-N-prop-2-enylpropanamide
CID 61145863
1-(aminomethyl)-N-cyclopentyl-N-prop-2-enylcyclobutane-1-carboxamide
CID 113311622
2-cyclopropyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982172
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980920
3-[tert-butyl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 106980310
2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide
CID 60947968

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide (CID 106980144) is N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide is C=CCN(C(=O)C1(C(C)C)CCNC1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide?
The InChIKey is HLTSIRMKNUMGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-11-18(14-7-5-6-8-14)15(19)16(13(2)3)9-10-17-12-16/h4,13-14,17H,1,5-12H2,2-3H3.
What are the key properties of N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide?
N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide has a molecular weight of 264.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106980144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).