N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]formamide

C4H6N2O2 — CID 135052371

IUPACN-[(Z)-1-amino-3-oxoprop-1-en-2-yl]formamide
SMILESN/C=C(/C=O)NC=O
InChIInChI=1S/C4H6N2O2/c5-1-4(2-7)6-3-8/h1-3H,5H2,(H,6,8)/b4-1-
InChIKeyFVKUUCXWFLRAJD-RJRFIUFISA-N
MW114.10 g/mol
LogP-1.27
Rot. Bonds3

About N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]formamide

N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]formamide (PubChem CID 135052371) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]formamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-oxoprop-1-en-2-yl]formamide
PubChem CID135052371
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC NameN-[(Z)-1-amino-3-oxoprop-1-en-2-yl]formamide
SMILESN/C=C(/C=O)NC=O
InChIInChI=1S/C4H6N2O2/c5-1-4(2-7)6-3-8/h1-3H,5H2,(H,6,8)/b4-1-
InChIKeyFVKUUCXWFLRAJD-RJRFIUFISA-N
XLogP-1.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Oxo-2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 2724951
2-Formylazirine
CID 129875267
N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]acetamide
CID 55289772
2-Propenal, 3-(dimethylamino)-2-(methylamino)-
CID 5371636
N-(3-oxoprop-1-en-2-yl)formamide
CID 17805103
1H-pyrazine-2,3,4,5-tetracarbaldehyde
CID 22151769
2-[[(Z)-2-aminoethenyl]amino]prop-2-enal
CID 87171458
(Z)-2-(ethylamino)-3-(methylamino)prop-2-enal
CID 89094997
(Z)-2-amino-3-(prop-1-en-2-ylamino)prop-2-enal
CID 89228251
(Z)-3-amino-2-(methylamino)prop-2-enal
CID 89738463
2-(2-Oxoethylamino)prop-2-enal
CID 89901131
(Z)-3-amino-2-(2-oxoethylamino)prop-2-enal
CID 89901137

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]formamide?
The IUPAC name of N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]formamide (CID 135052371) is N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]formamide.
What is the SMILES notation for N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]formamide?
The canonical SMILES for N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]formamide is N/C=C(/C=O)NC=O.
What is the InChIKey of N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]formamide?
The InChIKey is FVKUUCXWFLRAJD-RJRFIUFISA-N. The full InChI is InChI=1S/C4H6N2O2/c5-1-4(2-7)6-3-8/h1-3H,5H2,(H,6,8)/b4-1-.
What are the key properties of N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]formamide?
N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]formamide has a molecular weight of 114.10 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]formamide is sourced from PubChem (CID 135052371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).