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

C11H19ClN2O2 — CID 60949379

IUPAC1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CCCCCl
InChIInChI=1S/C11H19ClN2O2/c1-13-11(16)9-5-4-8-14(9)10(15)6-2-3-7-12/h9H,2-8H2,1H3,(H,13,16)
InChIKeyGXCLGAOUKQEDSI-UHFFFAOYSA-N
MW246.74 g/mol
LogP1.13
Rot. Bonds5

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

1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 60949379) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID60949379
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CCCCCl
InChIInChI=1S/C11H19ClN2O2/c1-13-11(16)9-5-4-8-14(9)10(15)6-2-3-7-12/h9H,2-8H2,1H3,(H,13,16)
InChIKeyGXCLGAOUKQEDSI-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 51.13
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-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953275
1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 54875325
N-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119736624
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide
CID 107909408
N-methyl-1-[1-[4-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 155261104
4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide
CID 83106665
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
N-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide
CID 54871434
1-[2-(cyclopentylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 60952576
ethane;5-methylhexan-2-one;(2S)-N-methyl-1-pentanoylpyrrolidine-2-carboxamide
CID 156846202
5-chloro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one
CID 60954153

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide (CID 60949379) is 1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)CCCCCl.
What is the InChIKey of 1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is GXCLGAOUKQEDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c1-13-11(16)9-5-4-8-14(9)10(15)6-2-3-7-12/h9H,2-8H2,1H3,(H,13,16).
What are the key properties of 1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide?
1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 246.74 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 60949379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).