N-[(Z)-3-oxoprop-1-enyl]formamide

C4H5NO2 — CID 142409762

IUPACN-[(Z)-3-oxoprop-1-enyl]formamide
SMILESO=C/C=C\NC=O
InChIInChI=1S/C4H5NO2/c6-3-1-2-5-4-7/h1-4H,(H,5,7)/b2-1-
InChIKeyGETWQVYZYYCPDS-UPHRSURJSA-N
MW99.09 g/mol
LogP-0.56
Rot. Bonds3

About N-[(Z)-3-oxoprop-1-enyl]formamide

N-[(Z)-3-oxoprop-1-enyl]formamide (PubChem CID 142409762) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is N-[(Z)-3-oxoprop-1-enyl]formamide.

Molecular Properties

Compound NameN-[(Z)-3-oxoprop-1-enyl]formamide
PubChem CID142409762
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC NameN-[(Z)-3-oxoprop-1-enyl]formamide
SMILESO=C/C=C\NC=O
InChIInChI=1S/C4H5NO2/c6-3-1-2-5-4-7/h1-4H,(H,5,7)/b2-1-
InChIKeyGETWQVYZYYCPDS-UPHRSURJSA-N
XLogP-0.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(E)-3-(ethenylamino)prop-2-enal
CID 163992094
N-[(1E)-buta-1,3-dienyl]formamide
CID 19067293
N-(2-aminoethenyl)formamide
CID 173075314
but-2-enedial;copper
CID 174314977
(Z)-3-(2-methylhydrazinyl)prop-2-enal
CID 166135951
N-[(Z)-3,3-diaminoprop-1-enyl]formamide
CID 89234839
N-[(E)-3-oxoprop-1-enyl]acetamide
CID 12509734
(2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenedial
CID 102293194
N-[(1Z,3Z)-7,7,7-trifluoro-6-hydroxyhepta-1,3-dienyl]formamide
CID 162437268
N-[(1E)-penta-1,4-dienyl]formamide
CID 143527082
N-penta-1,4-dienylformamide
CID 174468643
(Z)-4-formamidobut-3-enoic acid
CID 15944664

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-oxoprop-1-enyl]formamide?
The IUPAC name of N-[(Z)-3-oxoprop-1-enyl]formamide (CID 142409762) is N-[(Z)-3-oxoprop-1-enyl]formamide.
What is the SMILES notation for N-[(Z)-3-oxoprop-1-enyl]formamide?
The canonical SMILES for N-[(Z)-3-oxoprop-1-enyl]formamide is O=C/C=C\NC=O.
What is the InChIKey of N-[(Z)-3-oxoprop-1-enyl]formamide?
The InChIKey is GETWQVYZYYCPDS-UPHRSURJSA-N. The full InChI is InChI=1S/C4H5NO2/c6-3-1-2-5-4-7/h1-4H,(H,5,7)/b2-1-.
What are the key properties of N-[(Z)-3-oxoprop-1-enyl]formamide?
N-[(Z)-3-oxoprop-1-enyl]formamide has a molecular weight of 99.09 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-oxoprop-1-enyl]formamide is sourced from PubChem (CID 142409762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).