4-(2-methylphenyl)pent-4-enamide

C12H15NO — CID 146545634

IUPAC4-(2-methylphenyl)pent-4-enamide
SMILESC=C(CCC(N)=O)c1ccccc1C
InChIInChI=1S/C12H15NO/c1-9-5-3-4-6-11(9)10(2)7-8-12(13)14/h3-6H,2,7-8H2,1H3,(H2,13,14)
InChIKeyAYRSWQQRMKDRRZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.27
Rot. Bonds4

About 4-(2-methylphenyl)pent-4-enamide

4-(2-methylphenyl)pent-4-enamide (PubChem CID 146545634) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-(2-methylphenyl)pent-4-enamide.

Molecular Properties

Compound Name4-(2-methylphenyl)pent-4-enamide
PubChem CID146545634
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4-(2-methylphenyl)pent-4-enamide
SMILESC=C(CCC(N)=O)c1ccccc1C
InChIInChI=1S/C12H15NO/c1-9-5-3-4-6-11(9)10(2)7-8-12(13)14/h3-6H,2,7-8H2,1H3,(H2,13,14)
InChIKeyAYRSWQQRMKDRRZ-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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6-(2-methylphenyl)hept-6-enenitrile
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2-methyl-3-(2-methylphenyl)-3-oxopropanamide
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4-(2-methylphenyl)butanamide
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1-(2-methylphenyl)butane-1,2-dione
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4-ethyl-3-(2-methylphenyl)hex-3-enamide
CID 70340678
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CID 15597717
2-methylbenzamide;phenol
CID 160508327
3-[2-(2-methylphenyl)prop-2-enyl]aniline
CID 143547599
ethene;1-methyl-2-prop-1-en-2-ylbenzene
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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)pent-4-enamide?
The IUPAC name of 4-(2-methylphenyl)pent-4-enamide (CID 146545634) is 4-(2-methylphenyl)pent-4-enamide.
What is the SMILES notation for 4-(2-methylphenyl)pent-4-enamide?
The canonical SMILES for 4-(2-methylphenyl)pent-4-enamide is C=C(CCC(N)=O)c1ccccc1C.
What is the InChIKey of 4-(2-methylphenyl)pent-4-enamide?
The InChIKey is AYRSWQQRMKDRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-5-3-4-6-11(9)10(2)7-8-12(13)14/h3-6H,2,7-8H2,1H3,(H2,13,14).
What are the key properties of 4-(2-methylphenyl)pent-4-enamide?
4-(2-methylphenyl)pent-4-enamide has a molecular weight of 189.26 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)pent-4-enamide is sourced from PubChem (CID 146545634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).