2-prop-1-enyliminobut-3-enamide

C7H10N2O — CID 123776340

IUPAC2-prop-1-enyliminobut-3-enamide
SMILESC=C/C(=N\C=CC)C(N)=O
InChIInChI=1S/C7H10N2O/c1-3-5-9-6(4-2)7(8)10/h3-5H,2H2,1H3,(H2,8,10)/b5-3?,9-6+
InChIKeyPXUUNBWWBXXVFE-CIHUCNEJSA-N
MW138.17 g/mol
LogP0.63
Rot. Bonds3

About 2-prop-1-enyliminobut-3-enamide

2-prop-1-enyliminobut-3-enamide (PubChem CID 123776340) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-prop-1-enyliminobut-3-enamide.

Molecular Properties

Compound Name2-prop-1-enyliminobut-3-enamide
PubChem CID123776340
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-prop-1-enyliminobut-3-enamide
SMILESC=C/C(=N\C=CC)C(N)=O
InChIInChI=1S/C7H10N2O/c1-3-5-9-6(4-2)7(8)10/h3-5H,2H2,1H3,(H2,8,10)/b5-3?,9-6+
InChIKeyPXUUNBWWBXXVFE-CIHUCNEJSA-N
XLogP0.63
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-1-enyliminobut-3-enamide?
The IUPAC name of 2-prop-1-enyliminobut-3-enamide (CID 123776340) is 2-prop-1-enyliminobut-3-enamide.
What is the SMILES notation for 2-prop-1-enyliminobut-3-enamide?
The canonical SMILES for 2-prop-1-enyliminobut-3-enamide is C=C/C(=N\C=CC)C(N)=O.
What is the InChIKey of 2-prop-1-enyliminobut-3-enamide?
The InChIKey is PXUUNBWWBXXVFE-CIHUCNEJSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-5-9-6(4-2)7(8)10/h3-5H,2H2,1H3,(H2,8,10)/b5-3?,9-6+.
What are the key properties of 2-prop-1-enyliminobut-3-enamide?
2-prop-1-enyliminobut-3-enamide has a molecular weight of 138.17 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-enyliminobut-3-enamide is sourced from PubChem (CID 123776340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).