N-[(E)-but-2-enyl]-N-methylbutanamide

C9H17NO — CID 20644855

IUPACN-[(E)-but-2-enyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)C/C=C/C
InChIInChI=1S/C9H17NO/c1-4-6-8-10(3)9(11)7-5-2/h4,6H,5,7-8H2,1-3H3/b6-4+
InChIKeyVTIRTWJTCPXHJD-GQCTYLIASA-N
MW155.24 g/mol
LogP1.40
Rot. Bonds4

About N-[(E)-but-2-enyl]-N-methylbutanamide

N-[(E)-but-2-enyl]-N-methylbutanamide (PubChem CID 20644855) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-N-methylbutanamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-N-methylbutanamide
PubChem CID20644855
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-[(E)-but-2-enyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)C/C=C/C
InChIInChI=1S/C9H17NO/c1-4-6-8-10(3)9(11)7-5-2/h4,6H,5,7-8H2,1-3H3/b6-4+
InChIKeyVTIRTWJTCPXHJD-GQCTYLIASA-N
XLogP1.40
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity140

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 241027
N,N-Diallylpivalamide
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4-Pentenamide, N,N-diethyl-
CID 547369
N,N-dibutylprop-2-enamide
CID 10419855
N,N-Dibutylbut-3-enamide
CID 15984652
1-Butyryl-1,2,3,6-tetrahydropyridine
CID 579185
N-allyl-2-fluoro-N-methylpentanamide
CID 135391097
2-ethyl-N,N-bis(prop-2-enyl)butanamide
CID 3300543
N,N-diallylisobutyramide
CID 4679169
N-allyl-N-butylacrylamide
CID 85554438
N-allyl-N-methylpentanamide
CID 135391089
5-fluoro-N-methyl-N-prop-2-enylpentanamide
CID 22975875

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-N-methylbutanamide?
The IUPAC name of N-[(E)-but-2-enyl]-N-methylbutanamide (CID 20644855) is N-[(E)-but-2-enyl]-N-methylbutanamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-N-methylbutanamide?
The canonical SMILES for N-[(E)-but-2-enyl]-N-methylbutanamide is CCCC(=O)N(C)C/C=C/C.
What is the InChIKey of N-[(E)-but-2-enyl]-N-methylbutanamide?
The InChIKey is VTIRTWJTCPXHJD-GQCTYLIASA-N. The full InChI is InChI=1S/C9H17NO/c1-4-6-8-10(3)9(11)7-5-2/h4,6H,5,7-8H2,1-3H3/b6-4+.
What are the key properties of N-[(E)-but-2-enyl]-N-methylbutanamide?
N-[(E)-but-2-enyl]-N-methylbutanamide has a molecular weight of 155.24 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-N-methylbutanamide is sourced from PubChem (CID 20644855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).