2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile

C11H17N3O — CID 65496483

IUPAC2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCC2CCC(=O)N2)CC1
InChIInChI=1S/C11H17N3O/c12-6-5-11(3-4-11)8-13-7-9-1-2-10(15)14-9/h9,13H,1-5,7-8H2,(H,14,15)
InChIKeyAAQDCLDZPVAFBU-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.55
Rot. Bonds5

About 2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile

2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile (PubChem CID 65496483) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile
PubChem CID65496483
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCC2CCC(=O)N2)CC1
InChIInChI=1S/C11H17N3O/c12-6-5-11(3-4-11)8-13-7-9-1-2-10(15)14-9/h9,13H,1-5,7-8H2,(H,14,15)
InChIKeyAAQDCLDZPVAFBU-UHFFFAOYSA-N
XLogP0.55
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile 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

3-[(5-oxopyrrolidin-2-yl)methylamino]propanenitrile
CID 60727673
5-[[(4-hydroxyoxan-4-yl)methylamino]methyl]pyrrolidin-2-one
CID 107529723
4-hydroxy-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 106499501
(5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one
CID 166066315
5-[[(2-methyloxolan-2-yl)methylamino]methyl]pyrrolidin-2-one
CID 107529690
2-[1-[[(3-hydroxycyclobutyl)methylamino]methyl]cyclopropyl]acetonitrile
CID 66005307
2,2-dimethyl-4-[(5-oxopyrrolidin-2-yl)methylamino]butanenitrile
CID 65253327
5-[[(1-methylcyclobutyl)amino]methyl]pyrrolidin-2-one
CID 107530010
5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one
CID 60726501
3,3,3-trifluoro-2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]propanenitrile
CID 103367314
(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
CID 139457807
5-[(2,2-dicyclopropylethylamino)methyl]pyrrolidin-2-one
CID 107529578

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile (CID 65496483) is 2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile is N#CCC1(CNCC2CCC(=O)N2)CC1.
What is the InChIKey of 2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile?
The InChIKey is AAQDCLDZPVAFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-6-5-11(3-4-11)8-13-7-9-1-2-10(15)14-9/h9,13H,1-5,7-8H2,(H,14,15).
What are the key properties of 2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile?
2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile has a molecular weight of 207.28 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65496483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).