2-but-3-enyl-3-methylbenzamide

C12H15NO — CID 141019627

IUPAC2-but-3-enyl-3-methylbenzamide
SMILESC=CCCc1c(C)cccc1C(N)=O
InChIInChI=1S/C12H15NO/c1-3-4-7-10-9(2)6-5-8-11(10)12(13)14/h3,5-6,8H,1,4,7H2,2H3,(H2,13,14)
InChIKeyGFXRQDTYIVAAGF-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.21
Rot. Bonds4

About 2-but-3-enyl-3-methylbenzamide

2-but-3-enyl-3-methylbenzamide (PubChem CID 141019627) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-but-3-enyl-3-methylbenzamide.

Molecular Properties

Compound Name2-but-3-enyl-3-methylbenzamide
PubChem CID141019627
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-but-3-enyl-3-methylbenzamide
SMILESC=CCCc1c(C)cccc1C(N)=O
InChIInChI=1S/C12H15NO/c1-3-4-7-10-9(2)6-5-8-11(10)12(13)14/h3,5-6,8H,1,4,7H2,2H3,(H2,13,14)
InChIKeyGFXRQDTYIVAAGF-UHFFFAOYSA-N
XLogP2.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enylbenzene-1,3-dicarboxamide
CID 67682969
2,3-dimethylbenzamide;ethane
CID 143389789
3-(2,6-dimethylphenyl)propanal
CID 73014071
2-(hydroxymethyl)benzene-1,3-dicarboxamide
CID 70473851
2-[(9Z,12Z)-octadeca-9,12-dienyl]benzene-1,3-dicarboxamide
CID 175126140
1-(2,6-dimethylphenyl)pent-4-en-2-one
CID 116659518
2-methylbenzamide;molecular hydrogen
CID 177161283
2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 118244198
1-(2,3-dimethylphenyl)oct-7-en-1-one
CID 107011226
1-(2-chloro-3-methylphenyl)hex-5-en-1-one
CID 114974829
2,3-diethylbenzamide;hydrofluoride
CID 175203586
S-[2-(3-chloropropyl)-3-methylbenzoyl] 2-(3-chloropropyl)-3-methylbenzenecarbothioate
CID 87972530

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-3-methylbenzamide?
The IUPAC name of 2-but-3-enyl-3-methylbenzamide (CID 141019627) is 2-but-3-enyl-3-methylbenzamide.
What is the SMILES notation for 2-but-3-enyl-3-methylbenzamide?
The canonical SMILES for 2-but-3-enyl-3-methylbenzamide is C=CCCc1c(C)cccc1C(N)=O.
What is the InChIKey of 2-but-3-enyl-3-methylbenzamide?
The InChIKey is GFXRQDTYIVAAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-4-7-10-9(2)6-5-8-11(10)12(13)14/h3,5-6,8H,1,4,7H2,2H3,(H2,13,14).
What are the key properties of 2-but-3-enyl-3-methylbenzamide?
2-but-3-enyl-3-methylbenzamide has a molecular weight of 189.26 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-3-methylbenzamide is sourced from PubChem (CID 141019627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).