N-[(Z)-1-oxobut-2-en-2-yl]formamide

C5H7NO2 — CID 89201302

IUPACN-[(Z)-1-oxobut-2-en-2-yl]formamide
SMILESC/C=C(/C=O)NC=O
InChIInChI=1S/C5H7NO2/c1-2-5(3-7)6-4-8/h2-4H,1H3,(H,6,8)/b5-2-
InChIKeyDCVCTCBHDLKQDJ-DJWKRKHSSA-N
MW113.12 g/mol
LogP-0.16
Rot. Bonds3

About N-[(Z)-1-oxobut-2-en-2-yl]formamide

N-[(Z)-1-oxobut-2-en-2-yl]formamide (PubChem CID 89201302) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is N-[(Z)-1-oxobut-2-en-2-yl]formamide.

Molecular Properties

Compound NameN-[(Z)-1-oxobut-2-en-2-yl]formamide
PubChem CID89201302
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC NameN-[(Z)-1-oxobut-2-en-2-yl]formamide
SMILESC/C=C(/C=O)NC=O
InChIInChI=1S/C5H7NO2/c1-2-5(3-7)6-4-8/h2-4H,1H3,(H,6,8)/b5-2-
InChIKeyDCVCTCBHDLKQDJ-DJWKRKHSSA-N
XLogP-0.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.16
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-oxobut-2-en-2-yl]formamide?
The IUPAC name of N-[(Z)-1-oxobut-2-en-2-yl]formamide (CID 89201302) is N-[(Z)-1-oxobut-2-en-2-yl]formamide.
What is the SMILES notation for N-[(Z)-1-oxobut-2-en-2-yl]formamide?
The canonical SMILES for N-[(Z)-1-oxobut-2-en-2-yl]formamide is C/C=C(/C=O)NC=O.
What is the InChIKey of N-[(Z)-1-oxobut-2-en-2-yl]formamide?
The InChIKey is DCVCTCBHDLKQDJ-DJWKRKHSSA-N. The full InChI is InChI=1S/C5H7NO2/c1-2-5(3-7)6-4-8/h2-4H,1H3,(H,6,8)/b5-2-.
What are the key properties of N-[(Z)-1-oxobut-2-en-2-yl]formamide?
N-[(Z)-1-oxobut-2-en-2-yl]formamide has a molecular weight of 113.12 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-oxobut-2-en-2-yl]formamide is sourced from PubChem (CID 89201302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).