3-imino-N-prop-2-enylbutanamide

C7H12N2O — CID 54373009

IUPAC3-imino-N-prop-2-enylbutanamide
SMILES[H]/N=C(\C)CC(=O)NCC=C
InChIInChI=1S/C7H12N2O/c1-3-4-9-7(10)5-6(2)8/h3,8H,1,4-5H2,2H3,(H,9,10)/b8-6+
InChIKeyUUNRSPFONXBWLJ-SOFGYWHQSA-N
MW140.19 g/mol
LogP0.72
Rot. Bonds4

About 3-imino-N-prop-2-enylbutanamide

3-imino-N-prop-2-enylbutanamide (PubChem CID 54373009) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-imino-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name3-imino-N-prop-2-enylbutanamide
PubChem CID54373009
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-imino-N-prop-2-enylbutanamide
SMILES[H]/N=C(\C)CC(=O)NCC=C
InChIInChI=1S/C7H12N2O/c1-3-4-9-7(10)5-6(2)8/h3,8H,1,4-5H2,2H3,(H,9,10)/b8-6+
InChIKeyUUNRSPFONXBWLJ-SOFGYWHQSA-N
XLogP0.72
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-allyl butyramide
CID 4257022
3-imino-N-propylbutanamide
CID 53851975
N-ethyl-3-iminobutanamide
CID 123870963
N-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide;ethane;molecular hydrogen
CID 178010181
N-[(E)-but-2-enyl]-3,4-bis(methylimino)butanamide;ethane
CID 178010819
(2E)-2-hydroxyimino-N-prop-2-enylpropanamide
CID 11008011
3-Methyl-1,7-dihydro-1,4-diazepin-2-one
CID 142816298
N-(2-iminobut-3-enyl)butanamide
CID 144540772
N-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide
CID 178010182
N-[(E)-but-2-enyl]-3,4-bis(methylimino)butanamide
CID 178010820

Frequently Asked Questions

What is the IUPAC name of 3-imino-N-prop-2-enylbutanamide?
The IUPAC name of 3-imino-N-prop-2-enylbutanamide (CID 54373009) is 3-imino-N-prop-2-enylbutanamide.
What is the SMILES notation for 3-imino-N-prop-2-enylbutanamide?
The canonical SMILES for 3-imino-N-prop-2-enylbutanamide is [H]/N=C(\C)CC(=O)NCC=C.
What is the InChIKey of 3-imino-N-prop-2-enylbutanamide?
The InChIKey is UUNRSPFONXBWLJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-4-9-7(10)5-6(2)8/h3,8H,1,4-5H2,2H3,(H,9,10)/b8-6+.
What are the key properties of 3-imino-N-prop-2-enylbutanamide?
3-imino-N-prop-2-enylbutanamide has a molecular weight of 140.19 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N-prop-2-enylbutanamide is sourced from PubChem (CID 54373009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).