N-but-2-en-2-yl-N-methylbutanamide

C9H17NO — CID 123264495

IUPACN-but-2-en-2-yl-N-methylbutanamide
SMILESCC=C(C)N(C)C(=O)CCC
InChIInChI=1S/C9H17NO/c1-5-7-9(11)10(4)8(3)6-2/h6H,5,7H2,1-4H3
InChIKeyIGQJDQAYKPOVDA-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.17
Rot. Bonds3

About N-but-2-en-2-yl-N-methylbutanamide

N-but-2-en-2-yl-N-methylbutanamide (PubChem CID 123264495) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-but-2-en-2-yl-N-methylbutanamide.

Molecular Properties

Compound NameN-but-2-en-2-yl-N-methylbutanamide
PubChem CID123264495
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-but-2-en-2-yl-N-methylbutanamide
SMILESCC=C(C)N(C)C(=O)CCC
InChIInChI=1S/C9H17NO/c1-5-7-9(11)10(4)8(3)6-2/h6H,5,7H2,1-4H3
InChIKeyIGQJDQAYKPOVDA-UHFFFAOYSA-N
XLogP2.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-but-2-en-2-yl-N-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-but-2-en-2-yl]pyrrolidin-2-one
CID 21518592
1-But-2-en-2-ylpyrrolidin-2-one
CID 54400713
N-methyl-N-prop-1-en-2-ylpropanamide
CID 57540423
2-methyl-N-propan-2-yl-N-prop-1-en-2-ylbutanamide
CID 88580848
Ethane;1-prop-1-en-2-ylpyrrolidin-2-one
CID 91169396
N-but-2-en-2-yl-N,2,2-trimethylbutanamide
CID 123139486
N-but-2-en-2-yl-N-methylpropanamide
CID 123325244
N-ethyl-N-penta-2,4-dien-2-ylbutanamide
CID 123333115
N-but-2-en-2-yl-N-ethyl-3,3-dimethylbutanamide
CID 123549027
N,2-dimethyl-N-penta-2,4-dien-2-ylpropanamide
CID 123671236
N-but-2-en-2-yl-N-methylacetamide
CID 123872311
N-but-2-en-2-yl-N,3-dimethylbutanamide
CID 123906611

Frequently Asked Questions

What is the IUPAC name of N-but-2-en-2-yl-N-methylbutanamide?
The IUPAC name of N-but-2-en-2-yl-N-methylbutanamide (CID 123264495) is N-but-2-en-2-yl-N-methylbutanamide.
What is the SMILES notation for N-but-2-en-2-yl-N-methylbutanamide?
The canonical SMILES for N-but-2-en-2-yl-N-methylbutanamide is CC=C(C)N(C)C(=O)CCC.
What is the InChIKey of N-but-2-en-2-yl-N-methylbutanamide?
The InChIKey is IGQJDQAYKPOVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-7-9(11)10(4)8(3)6-2/h6H,5,7H2,1-4H3.
What are the key properties of N-but-2-en-2-yl-N-methylbutanamide?
N-but-2-en-2-yl-N-methylbutanamide has a molecular weight of 155.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-en-2-yl-N-methylbutanamide is sourced from PubChem (CID 123264495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).