N-(1-methylpyrrolidin-3-yl)butanamide

C9H18N2O — CID 18723360

IUPACN-(1-methylpyrrolidin-3-yl)butanamide
SMILESCCCC(=O)NC1CCN(C)C1
InChIInChI=1S/C9H18N2O/c1-3-4-9(12)10-8-5-6-11(2)7-8/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyZDYSNBHHTIAJRO-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.61
Rot. Bonds3

About N-(1-methylpyrrolidin-3-yl)butanamide

N-(1-methylpyrrolidin-3-yl)butanamide (PubChem CID 18723360) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)butanamide.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)butanamide
PubChem CID18723360
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-(1-methylpyrrolidin-3-yl)butanamide
SMILESCCCC(=O)NC1CCN(C)C1
InChIInChI=1S/C9H18N2O/c1-3-4-9(12)10-8-5-6-11(2)7-8/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyZDYSNBHHTIAJRO-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465444
4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide
CID 79192658
5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 61462313
N-(1-methylpyrrolidin-3-yl)-12-oxotridecanamide
CID 169229027
methyl 3-[(1-methylpyrrolidin-3-yl)amino]-3-oxopropanoate
CID 115174182
ethyl N-(1-methylpyrrolidin-3-yl)carbamate
CID 61355543
2-methoxy-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 90442595
N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide
CID 167206837
2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide
CID 61465317
N-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide
CID 121458775
4-hydroxy-N-(1-methylpiperidin-3-yl)pentanamide
CID 79191755
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)butanamide?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)butanamide (CID 18723360) is N-(1-methylpyrrolidin-3-yl)butanamide.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)butanamide?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)butanamide is CCCC(=O)NC1CCN(C)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)butanamide?
The InChIKey is ZDYSNBHHTIAJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-4-9(12)10-8-5-6-11(2)7-8/h8H,3-7H2,1-2H3,(H,10,12).
What are the key properties of N-(1-methylpyrrolidin-3-yl)butanamide?
N-(1-methylpyrrolidin-3-yl)butanamide has a molecular weight of 170.26 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)butanamide is sourced from PubChem (CID 18723360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).