1-butanoyl-N-methylpyrrolidine-2-carboxamide

C10H18N2O2 — CID 61060939

IUPAC1-butanoyl-N-methylpyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCCC1C(=O)NC
InChIInChI=1S/C10H18N2O2/c1-3-5-9(13)12-7-4-6-8(12)10(14)11-2/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyOXACURGQATTZNJ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.52
Rot. Bonds3

About 1-butanoyl-N-methylpyrrolidine-2-carboxamide

1-butanoyl-N-methylpyrrolidine-2-carboxamide (PubChem CID 61060939) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-butanoyl-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-methylpyrrolidine-2-carboxamide
PubChem CID61060939
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-butanoyl-N-methylpyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCCC1C(=O)NC
InChIInChI=1S/C10H18N2O2/c1-3-5-9(13)12-7-4-6-8(12)10(14)11-2/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyOXACURGQATTZNJ-UHFFFAOYSA-N
XLogP0.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833452
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
N-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119736624
1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60949379
1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953275
ethane;5-methylhexan-2-one;(2S)-N-methyl-1-pentanoylpyrrolidine-2-carboxamide
CID 156846202
N-methyl-1-[1-[4-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 155261104
(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
CID 71346691
methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 115606581
1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide
CID 107909408
(2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide
CID 32599029
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-butanoyl-N-methylpyrrolidine-2-carboxamide (CID 61060939) is 1-butanoyl-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-butanoyl-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-butanoyl-N-methylpyrrolidine-2-carboxamide is CCCC(=O)N1CCCC1C(=O)NC.
What is the InChIKey of 1-butanoyl-N-methylpyrrolidine-2-carboxamide?
The InChIKey is OXACURGQATTZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-5-9(13)12-7-4-6-8(12)10(14)11-2/h8H,3-7H2,1-2H3,(H,11,14).
What are the key properties of 1-butanoyl-N-methylpyrrolidine-2-carboxamide?
1-butanoyl-N-methylpyrrolidine-2-carboxamide has a molecular weight of 198.27 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61060939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).