4-amino-5-oxopyrrolidine-2-carbonitrile

C5H7N3O — CID 131558705

IUPAC4-amino-5-oxopyrrolidine-2-carbonitrile
SMILESN#CC1CC(N)C(=O)N1
InChIInChI=1S/C5H7N3O/c6-2-3-1-4(7)5(9)8-3/h3-4H,1,7H2,(H,8,9)
InChIKeyBCKHWHBXOCIIED-UHFFFAOYSA-N
MW125.13 g/mol
LogP-1.27
Rot. Bonds

About 4-amino-5-oxopyrrolidine-2-carbonitrile

4-amino-5-oxopyrrolidine-2-carbonitrile (PubChem CID 131558705) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 4-amino-5-oxopyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name4-amino-5-oxopyrrolidine-2-carbonitrile
PubChem CID131558705
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name4-amino-5-oxopyrrolidine-2-carbonitrile
SMILESN#CC1CC(N)C(=O)N1
InChIInChI=1S/C5H7N3O/c6-2-3-1-4(7)5(9)8-3/h3-4H,1,7H2,(H,8,9)
InChIKeyBCKHWHBXOCIIED-UHFFFAOYSA-N
XLogP-1.27
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5R)-3-amino-5-phenylpyrrolidin-2-one
CID 99646622
3-amino-2-oxocyclohexane-1-carbonitrile
CID 145314631
3-aminopyrrolidin-2-one
CID 158709416
3-amino-5-hydroxypiperidin-2-one
CID 54333644
5-amino-6-oxopiperidine-2-carboxamide
CID 45083196
3-amino-6-(trifluoromethyl)piperidin-2-one
CID 43810944
(2R)-azetidine-2-carbonitrile;hydrochloride
CID 118798148
5-amino-1,3-diazinan-4-one
CID 67494237
trans-(3R,9R)-3,9-diamino-1,7-diazacyclododecane-2,8-dione
CID 101477400
2-methylidene-4-oxocyclobutane-1-carbonitrile
CID 130301257
(3R)-3-aminopiperidine-2,6-dione;hydrobromide
CID 69352156
bis((2S)-azetidine-2-carbonitrile);oxalic acid
CID 127263309

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxopyrrolidine-2-carbonitrile?
The IUPAC name of 4-amino-5-oxopyrrolidine-2-carbonitrile (CID 131558705) is 4-amino-5-oxopyrrolidine-2-carbonitrile.
What is the SMILES notation for 4-amino-5-oxopyrrolidine-2-carbonitrile?
The canonical SMILES for 4-amino-5-oxopyrrolidine-2-carbonitrile is N#CC1CC(N)C(=O)N1.
What is the InChIKey of 4-amino-5-oxopyrrolidine-2-carbonitrile?
The InChIKey is BCKHWHBXOCIIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c6-2-3-1-4(7)5(9)8-3/h3-4H,1,7H2,(H,8,9).
What are the key properties of 4-amino-5-oxopyrrolidine-2-carbonitrile?
4-amino-5-oxopyrrolidine-2-carbonitrile has a molecular weight of 125.13 g/mol, XLogP of -1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxopyrrolidine-2-carbonitrile is sourced from PubChem (CID 131558705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).