N-butan-2-ylpyrrolidine-1-carboxamide

C9H18N2O — CID 17217776

IUPACN-butan-2-ylpyrrolidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCCC1
InChIInChI=1S/C9H18N2O/c1-3-8(2)10-9(12)11-6-4-5-7-11/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyIJNIJTJPUVAZQX-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.59
Rot. Bonds2

About N-butan-2-ylpyrrolidine-1-carboxamide

N-butan-2-ylpyrrolidine-1-carboxamide (PubChem CID 17217776) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-butan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-ylpyrrolidine-1-carboxamide
PubChem CID17217776
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-butan-2-ylpyrrolidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCCC1
InChIInChI=1S/C9H18N2O/c1-3-8(2)10-9(12)11-6-4-5-7-11/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyIJNIJTJPUVAZQX-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-butan-2-ylpyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pentan-2-ylazepane-1-carboxamide
CID 115583076
N-(1-hydroxypropan-2-yl)azepane-1-carboxamide
CID 112729482
N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115590525
N-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide
CID 96683108
N-heptan-2-ylpiperidine-1-carboxamide
CID 115578841
N-octan-2-ylpyrrolidine-1-carboxamide
CID 56808053
N-(3-methylpentan-2-yl)azepane-1-carboxamide
CID 115591353
N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
CID 115583840
N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115579823
N-[4-(dimethylamino)butan-2-yl]pyrrolidine-1-carboxamide
CID 115596643
N-[1-(dimethylamino)propan-2-yl]piperidine-1-carboxamide
CID 116657221
1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid
CID 167134950

Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-butan-2-ylpyrrolidine-1-carboxamide (CID 17217776) is N-butan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-butan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-butan-2-ylpyrrolidine-1-carboxamide is CCC(C)NC(=O)N1CCCC1.
What is the InChIKey of N-butan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is IJNIJTJPUVAZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-8(2)10-9(12)11-6-4-5-7-11/h8H,3-7H2,1-2H3,(H,10,12).
What are the key properties of N-butan-2-ylpyrrolidine-1-carboxamide?
N-butan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 17217776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).