N-[(2Z)-1-oxopenta-2,4-dien-2-yl]formamide

C6H7NO2 — CID 123270966

IUPACN-[(2Z)-1-oxopenta-2,4-dien-2-yl]formamide
SMILESC=C/C=C(/C=O)NC=O
InChIInChI=1S/C6H7NO2/c1-2-3-6(4-8)7-5-9/h2-5H,1H2,(H,7,9)/b6-3-
InChIKeyNINQBEDKVHQZAR-UTCJRWHESA-N
MW125.13 g/mol
LogP0.00
Rot. Bonds4

About N-[(2Z)-1-oxopenta-2,4-dien-2-yl]formamide

N-[(2Z)-1-oxopenta-2,4-dien-2-yl]formamide (PubChem CID 123270966) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is N-[(2Z)-1-oxopenta-2,4-dien-2-yl]formamide.

Molecular Properties

Compound NameN-[(2Z)-1-oxopenta-2,4-dien-2-yl]formamide
PubChem CID123270966
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC NameN-[(2Z)-1-oxopenta-2,4-dien-2-yl]formamide
SMILESC=C/C=C(/C=O)NC=O
InChIInChI=1S/C6H7NO2/c1-2-3-6(4-8)7-5-9/h2-5H,1H2,(H,7,9)/b6-3-
InChIKeyNINQBEDKVHQZAR-UTCJRWHESA-N
XLogP0.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.00
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-1-oxopenta-2,4-dien-2-yl]formamide?
The IUPAC name of N-[(2Z)-1-oxopenta-2,4-dien-2-yl]formamide (CID 123270966) is N-[(2Z)-1-oxopenta-2,4-dien-2-yl]formamide.
What is the SMILES notation for N-[(2Z)-1-oxopenta-2,4-dien-2-yl]formamide?
The canonical SMILES for N-[(2Z)-1-oxopenta-2,4-dien-2-yl]formamide is C=C/C=C(/C=O)NC=O.
What is the InChIKey of N-[(2Z)-1-oxopenta-2,4-dien-2-yl]formamide?
The InChIKey is NINQBEDKVHQZAR-UTCJRWHESA-N. The full InChI is InChI=1S/C6H7NO2/c1-2-3-6(4-8)7-5-9/h2-5H,1H2,(H,7,9)/b6-3-.
What are the key properties of N-[(2Z)-1-oxopenta-2,4-dien-2-yl]formamide?
N-[(2Z)-1-oxopenta-2,4-dien-2-yl]formamide has a molecular weight of 125.13 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-1-oxopenta-2,4-dien-2-yl]formamide is sourced from PubChem (CID 123270966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).