1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide

C13H21ClN2O2 — CID 54875325

IUPAC1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1C(=O)CCCCCl
InChIInChI=1S/C13H21ClN2O2/c14-8-2-1-5-12(17)16-9-3-4-11(16)13(18)15-10-6-7-10/h10-11H,1-9H2,(H,15,18)
InChIKeyBFDUFGLNSQSQKW-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.67
Rot. Bonds6

About 1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide

1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 54875325) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID54875325
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1C(=O)CCCCCl
InChIInChI=1S/C13H21ClN2O2/c14-8-2-1-5-12(17)16-9-3-4-11(16)13(18)15-10-6-7-10/h10-11H,1-9H2,(H,15,18)
InChIKeyBFDUFGLNSQSQKW-UHFFFAOYSA-N
XLogP1.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60949379
1-(3-aminopropanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60939858
(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833452
N-cyclopropyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 60733576
4-(4-chlorobutanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83106386
(2S)-N-cyclopropyl-1-non-8-enoylpyrrolidine-2-carboxamide;2,2-dimethylpropane;ethane;ethene
CID 143671394
(2S)-1-[2-(cyclopentylcarbamoylamino)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833402
(2S)-N-(4-benzamidocyclohexyl)-1-octanoylpyrrolidine-2-carboxamide
CID 51071438
(2S)-N-cyclohexyl-1-[5-(4-methoxyphenyl)pentanoyl]pyrrolidine-2-carboxamide
CID 110305780
(2S)-1-N-cyclohexyl-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
CID 1445867
5-chloro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one
CID 60954153
N-cyclopropyl-1-(3-piperidin-2-ylpropanoyl)pyrrolidine-2-carboxamide
CID 62212477

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide (CID 54875325) is 1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide is O=C(NC1CC1)C1CCCN1C(=O)CCCCCl.
What is the InChIKey of 1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is BFDUFGLNSQSQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c14-8-2-1-5-12(17)16-9-3-4-11(16)13(18)15-10-6-7-10/h10-11H,1-9H2,(H,15,18).
What are the key properties of 1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 272.78 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 54875325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).