3-(4-amino-2-oxo-3H-pyrrol-1-yl)propanenitrile

C7H9N3O — CID 51062625

IUPAC3-(4-amino-2-oxo-3H-pyrrol-1-yl)propanenitrile
SMILESN#CCCN1C=C(N)CC1=O
InChIInChI=1S/C7H9N3O/c8-2-1-3-10-5-6(9)4-7(10)11/h5H,1,3-4,9H2
InChIKeyNCPKHCYCWIRZCJ-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.07
Rot. Bonds2

About 3-(4-amino-2-oxo-3H-pyrrol-1-yl)propanenitrile

3-(4-amino-2-oxo-3H-pyrrol-1-yl)propanenitrile (PubChem CID 51062625) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 3-(4-amino-2-oxo-3H-pyrrol-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(4-amino-2-oxo-3H-pyrrol-1-yl)propanenitrile
PubChem CID51062625
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name3-(4-amino-2-oxo-3H-pyrrol-1-yl)propanenitrile
SMILESN#CCCN1C=C(N)CC1=O
InChIInChI=1S/C7H9N3O/c8-2-1-3-10-5-6(9)4-7(10)11/h5H,1,3-4,9H2
InChIKeyNCPKHCYCWIRZCJ-UHFFFAOYSA-N
XLogP-0.07
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(Z)-4-amino-3-(dimethylamino)but-3-enyl]-2-cyanoacetamide
CID 142219166
4-(Dimethylamino)-2-oxo-1,3-dihydropyrrole-3-carbonitrile
CID 153737136
1-(4-Amino-2,3-dihydropyrrol-1-yl)ethanone
CID 174327092

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-oxo-3H-pyrrol-1-yl)propanenitrile?
The IUPAC name of 3-(4-amino-2-oxo-3H-pyrrol-1-yl)propanenitrile (CID 51062625) is 3-(4-amino-2-oxo-3H-pyrrol-1-yl)propanenitrile.
What is the SMILES notation for 3-(4-amino-2-oxo-3H-pyrrol-1-yl)propanenitrile?
The canonical SMILES for 3-(4-amino-2-oxo-3H-pyrrol-1-yl)propanenitrile is N#CCCN1C=C(N)CC1=O.
What is the InChIKey of 3-(4-amino-2-oxo-3H-pyrrol-1-yl)propanenitrile?
The InChIKey is NCPKHCYCWIRZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c8-2-1-3-10-5-6(9)4-7(10)11/h5H,1,3-4,9H2.
What are the key properties of 3-(4-amino-2-oxo-3H-pyrrol-1-yl)propanenitrile?
3-(4-amino-2-oxo-3H-pyrrol-1-yl)propanenitrile has a molecular weight of 151.17 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-oxo-3H-pyrrol-1-yl)propanenitrile is sourced from PubChem (CID 51062625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).