(Z)-4-(prop-2-enylideneamino)but-3-enamide

C7H10N2O — CID 143372775

IUPAC(Z)-4-(prop-2-enylideneamino)but-3-enamide
SMILESC=C/C=N/C=C\CC(N)=O
InChIInChI=1S/C7H10N2O/c1-2-5-9-6-3-4-7(8)10/h2-3,5-6H,1,4H2,(H2,8,10)/b6-3-,9-5+
InChIKeyGXESAGMEBDJOCR-JCYGVGCCSA-N
MW138.17 g/mol
LogP0.63
Rot. Bonds4

About (Z)-4-(prop-2-enylideneamino)but-3-enamide

(Z)-4-(prop-2-enylideneamino)but-3-enamide (PubChem CID 143372775) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (Z)-4-(prop-2-enylideneamino)but-3-enamide.

Molecular Properties

Compound Name(Z)-4-(prop-2-enylideneamino)but-3-enamide
PubChem CID143372775
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(Z)-4-(prop-2-enylideneamino)but-3-enamide
SMILESC=C/C=N/C=C\CC(N)=O
InChIInChI=1S/C7H10N2O/c1-2-5-9-6-3-4-7(8)10/h2-3,5-6H,1,4H2,(H2,8,10)/b6-3-,9-5+
InChIKeyGXESAGMEBDJOCR-JCYGVGCCSA-N
XLogP0.63
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

(Z)-2-methyl-4-(methylideneamino)but-3-enamide
CID 90245976
2-Prop-1-enyliminobut-3-enamide
CID 123776340
2-[(Z)-prop-1-enyl]iminobut-3-enamide
CID 126625134
acetamide;N-[(Z)-but-1-enyl]propan-1-imine
CID 144136603
acetamide;(Z)-N-[(Z)-prop-1-enyl]but-2-en-1-imine
CID 144519306
1,5-Diazocine-2-carboxamide
CID 160924981
2-Ethenyliminobut-3-enamide
CID 153400576
4H-azepine-4-carboxamide
CID 155733854

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(prop-2-enylideneamino)but-3-enamide?
The IUPAC name of (Z)-4-(prop-2-enylideneamino)but-3-enamide (CID 143372775) is (Z)-4-(prop-2-enylideneamino)but-3-enamide.
What is the SMILES notation for (Z)-4-(prop-2-enylideneamino)but-3-enamide?
The canonical SMILES for (Z)-4-(prop-2-enylideneamino)but-3-enamide is C=C/C=N/C=C\CC(N)=O.
What is the InChIKey of (Z)-4-(prop-2-enylideneamino)but-3-enamide?
The InChIKey is GXESAGMEBDJOCR-JCYGVGCCSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-5-9-6-3-4-7(8)10/h2-3,5-6H,1,4H2,(H2,8,10)/b6-3-,9-5+.
What are the key properties of (Z)-4-(prop-2-enylideneamino)but-3-enamide?
(Z)-4-(prop-2-enylideneamino)but-3-enamide has a molecular weight of 138.17 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(prop-2-enylideneamino)but-3-enamide is sourced from PubChem (CID 143372775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).