2-(2-methylphenyl)prop-2-enamide

C10H11NO — CID 23202678

IUPAC2-(2-methylphenyl)prop-2-enamide
SMILESC=C(C(N)=O)c1ccccc1C
InChIInChI=1S/C10H11NO/c1-7-5-3-4-6-9(7)8(2)10(11)12/h3-6H,2H2,1H3,(H2,11,12)
InChIKeyIRBDZWSZPOTYLP-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.49
Rot. Bonds2

About 2-(2-methylphenyl)prop-2-enamide

2-(2-methylphenyl)prop-2-enamide (PubChem CID 23202678) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-(2-methylphenyl)prop-2-enamide
PubChem CID23202678
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-(2-methylphenyl)prop-2-enamide
SMILESC=C(C(N)=O)c1ccccc1C
InChIInChI=1S/C10H11NO/c1-7-5-3-4-6-9(7)8(2)10(11)12/h3-6H,2H2,1H3,(H2,11,12)
InChIKeyIRBDZWSZPOTYLP-UHFFFAOYSA-N
XLogP1.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenyl)prop-2-enamide
CID 67011938
2-methylbenzamide;molecular hydrogen
CID 177161283
4-(2-methylphenyl)pent-4-enamide
CID 146545634
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
2-methylbenzamide;phenol
CID 160508327
ethene;1-methyl-2-prop-1-en-2-ylbenzene
CID 142947701
ethane;1-(2-methylphenyl)ethanone
CID 91374073
bis(2-methylbenzoic acid);hydrate
CID 69398343
iron;2-methylbenzoic acid
CID 174483135
2-methylidene-1-(2-methylphenyl)pent-4-en-1-one
CID 160526359
chromium(3+);formaldehyde;tris(2-methylbenzoate)
CID 19812099
bis(2-methylprop-2-enamide);phthalic acid
CID 161166045

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)prop-2-enamide?
The IUPAC name of 2-(2-methylphenyl)prop-2-enamide (CID 23202678) is 2-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for 2-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for 2-(2-methylphenyl)prop-2-enamide is C=C(C(N)=O)c1ccccc1C.
What is the InChIKey of 2-(2-methylphenyl)prop-2-enamide?
The InChIKey is IRBDZWSZPOTYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7-5-3-4-6-9(7)8(2)10(11)12/h3-6H,2H2,1H3,(H2,11,12).
What are the key properties of 2-(2-methylphenyl)prop-2-enamide?
2-(2-methylphenyl)prop-2-enamide has a molecular weight of 161.20 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 23202678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).