1-(diethylaminomethyl)pyrrolidin-2-one

C9H18N2O — CID 4737447

IUPAC1-(diethylaminomethyl)pyrrolidin-2-one
SMILESCCN(CC)CN1CCCC1=O
InChIInChI=1S/C9H18N2O/c1-3-10(4-2)8-11-7-5-6-9(11)12/h3-8H2,1-2H3
InChIKeyHUGKEFTYFAIGMJ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.91
Rot. Bonds4

About 1-(diethylaminomethyl)pyrrolidin-2-one

1-(diethylaminomethyl)pyrrolidin-2-one (PubChem CID 4737447) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(diethylaminomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(diethylaminomethyl)pyrrolidin-2-one
PubChem CID4737447
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(diethylaminomethyl)pyrrolidin-2-one
SMILESCCN(CC)CN1CCCC1=O
InChIInChI=1S/C9H18N2O/c1-3-10(4-2)8-11-7-5-6-9(11)12/h3-8H2,1-2H3
InChIKeyHUGKEFTYFAIGMJ-UHFFFAOYSA-N
XLogP0.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(diethylaminomethyl)pyrrolidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(diethylaminomethyl)pyrrolidin-2-one?
The IUPAC name of 1-(diethylaminomethyl)pyrrolidin-2-one (CID 4737447) is 1-(diethylaminomethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(diethylaminomethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(diethylaminomethyl)pyrrolidin-2-one is CCN(CC)CN1CCCC1=O.
What is the InChIKey of 1-(diethylaminomethyl)pyrrolidin-2-one?
The InChIKey is HUGKEFTYFAIGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-10(4-2)8-11-7-5-6-9(11)12/h3-8H2,1-2H3.
What are the key properties of 1-(diethylaminomethyl)pyrrolidin-2-one?
1-(diethylaminomethyl)pyrrolidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylaminomethyl)pyrrolidin-2-one is sourced from PubChem (CID 4737447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).