2-[(5-oxopyrrolidin-3-yl)amino]butanenitrile

C8H13N3O — CID 106189208

IUPAC2-[(5-oxopyrrolidin-3-yl)amino]butanenitrile
SMILESCCC(C#N)NC1CNC(=O)C1
InChIInChI=1S/C8H13N3O/c1-2-6(4-9)11-7-3-8(12)10-5-7/h6-7,11H,2-3,5H2,1H3,(H,10,12)
InChIKeyFCLMENKMPUDBCL-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.23
Rot. Bonds3

About 2-[(5-oxopyrrolidin-3-yl)amino]butanenitrile

2-[(5-oxopyrrolidin-3-yl)amino]butanenitrile (PubChem CID 106189208) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-[(5-oxopyrrolidin-3-yl)amino]butanenitrile.

Molecular Properties

Compound Name2-[(5-oxopyrrolidin-3-yl)amino]butanenitrile
PubChem CID106189208
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-[(5-oxopyrrolidin-3-yl)amino]butanenitrile
SMILESCCC(C#N)NC1CNC(=O)C1
InChIInChI=1S/C8H13N3O/c1-2-6(4-9)11-7-3-8(12)10-5-7/h6-7,11H,2-3,5H2,1H3,(H,10,12)
InChIKeyFCLMENKMPUDBCL-UHFFFAOYSA-N
XLogP-0.23
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-oxopyrrolidin-3-yl)amino]butanenitrile
CID 105036476
2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid
CID 106184659
4-(but-3-yn-2-ylamino)pyrrolidin-2-one
CID 106189245
4-(3-hydroxybutan-2-ylamino)pyrrolidin-2-one
CID 106189044
N,N-diethyl-2-[(5-oxopyrrolidin-3-yl)amino]propanamide
CID 106188940
(4R)-4-(2-methylpropylamino)pyrrolidin-2-one
CID 139457725
4-(1-cyclobutylethylamino)pyrrolidin-2-one
CID 130978828
5-[(5-oxopyrrolidin-3-yl)amino]pentanenitrile
CID 106188995
N-(5-oxopyrrolidin-3-yl)ethanesulfonamide
CID 105056076
4-(prop-2-ynylamino)pyrrolidin-2-one
CID 106184297
4-[1-(2-methoxyphenyl)propylamino]pyrrolidin-2-one
CID 114155090
2-cyano-N-(5-oxopyrrolidin-3-yl)-2-propylpentanamide
CID 106188898

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxopyrrolidin-3-yl)amino]butanenitrile?
The IUPAC name of 2-[(5-oxopyrrolidin-3-yl)amino]butanenitrile (CID 106189208) is 2-[(5-oxopyrrolidin-3-yl)amino]butanenitrile.
What is the SMILES notation for 2-[(5-oxopyrrolidin-3-yl)amino]butanenitrile?
The canonical SMILES for 2-[(5-oxopyrrolidin-3-yl)amino]butanenitrile is CCC(C#N)NC1CNC(=O)C1.
What is the InChIKey of 2-[(5-oxopyrrolidin-3-yl)amino]butanenitrile?
The InChIKey is FCLMENKMPUDBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-6(4-9)11-7-3-8(12)10-5-7/h6-7,11H,2-3,5H2,1H3,(H,10,12).
What are the key properties of 2-[(5-oxopyrrolidin-3-yl)amino]butanenitrile?
2-[(5-oxopyrrolidin-3-yl)amino]butanenitrile has a molecular weight of 167.21 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxopyrrolidin-3-yl)amino]butanenitrile is sourced from PubChem (CID 106189208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).