N-(3-cyclopropylpropyl)-3-methylpyrrolidine-3-carboxamide

C12H22N2O — CID 115740541

IUPACN-(3-cyclopropylpropyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCCCC2CC2)CCNC1
InChIInChI=1S/C12H22N2O/c1-12(6-8-13-9-12)11(15)14-7-2-3-10-4-5-10/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyBVWGHSUEEDPORN-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.29
Rot. Bonds5

About N-(3-cyclopropylpropyl)-3-methylpyrrolidine-3-carboxamide

N-(3-cyclopropylpropyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 115740541) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(3-cyclopropylpropyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropylpropyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID115740541
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(3-cyclopropylpropyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCCCC2CC2)CCNC1
InChIInChI=1S/C12H22N2O/c1-12(6-8-13-9-12)11(15)14-7-2-3-10-4-5-10/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyBVWGHSUEEDPORN-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclohexylethyl)-3-methylpyrrolidine-3-carboxamide
CID 55164951
N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
N-(3-methoxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 63138395
N-(3-butoxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 115737915
3-methyl-N-[3-(2-methylpropoxy)propyl]pyrrolidine-3-carboxamide
CID 55165905
N-[2-(dimethylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 63140487
N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119672528
N-(2-cyclopentyloxyethyl)-3-methylpyrrolidine-3-carboxamide
CID 63826527
ethyl 4-[(3-methylpyrrolidine-3-carbonyl)amino]butanoate
CID 64576192
N-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 83110875
3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726405
2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63143746

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylpropyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-cyclopropylpropyl)-3-methylpyrrolidine-3-carboxamide (CID 115740541) is N-(3-cyclopropylpropyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-cyclopropylpropyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-cyclopropylpropyl)-3-methylpyrrolidine-3-carboxamide is CC1(C(=O)NCCCC2CC2)CCNC1.
What is the InChIKey of N-(3-cyclopropylpropyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is BVWGHSUEEDPORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(6-8-13-9-12)11(15)14-7-2-3-10-4-5-10/h10,13H,2-9H2,1H3,(H,14,15).
What are the key properties of N-(3-cyclopropylpropyl)-3-methylpyrrolidine-3-carboxamide?
N-(3-cyclopropylpropyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylpropyl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 115740541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).