2-methyl-4-naphthalen-1-ylbut-2-enamide

C15H15NO — CID 67637200

IUPAC2-methyl-4-naphthalen-1-ylbut-2-enamide
SMILESCC(=CCc1cccc2ccccc12)C(N)=O
InChIInChI=1S/C15H15NO/c1-11(15(16)17)9-10-13-7-4-6-12-5-2-3-8-14(12)13/h2-9H,10H2,1H3,(H2,16,17)
InChIKeyKOFXATDSRZOTOS-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.81
Rot. Bonds3

About 2-methyl-4-naphthalen-1-ylbut-2-enamide

2-methyl-4-naphthalen-1-ylbut-2-enamide (PubChem CID 67637200) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methyl-4-naphthalen-1-ylbut-2-enamide.

Molecular Properties

Compound Name2-methyl-4-naphthalen-1-ylbut-2-enamide
PubChem CID67637200
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2-methyl-4-naphthalen-1-ylbut-2-enamide
SMILESCC(=CCc1cccc2ccccc12)C(N)=O
InChIInChI=1S/C15H15NO/c1-11(15(16)17)9-10-13-7-4-6-12-5-2-3-8-14(12)13/h2-9H,10H2,1H3,(H2,16,17)
InChIKeyKOFXATDSRZOTOS-UHFFFAOYSA-N
XLogP2.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.81
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

1-[(Z)-3,4-dimethylpent-2-enyl]naphthalene
CID 102034582
5-methyl-6-naphthalen-1-ylhex-4-en-2-one
CID 90716108
3-amino-4-naphthalen-1-ylbutan-2-one
CID 90132705
carbamic acid;naphthalen-1-ylmethanol
CID 71402043
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
2-naphthalen-1-ylacetaldehyde
CID 12570786
2-methyl-4-phenanthren-9-ylbut-2-enoic acid
CID 173258879
2,2-dimethyl-3-naphthalen-1-ylpropanamide
CID 90911277
acetic acid;1-(2-bromoethyl)naphthalene
CID 174648093
carbonic acid;formaldehyde;1-prop-2-enylnaphthalene
CID 175360952
(Z)-4-methyl-5-naphthalen-1-ylpent-3-en-2-one
CID 102021850
2-naphthalen-1-ylethyl acetate
CID 592920

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-naphthalen-1-ylbut-2-enamide?
The IUPAC name of 2-methyl-4-naphthalen-1-ylbut-2-enamide (CID 67637200) is 2-methyl-4-naphthalen-1-ylbut-2-enamide.
What is the SMILES notation for 2-methyl-4-naphthalen-1-ylbut-2-enamide?
The canonical SMILES for 2-methyl-4-naphthalen-1-ylbut-2-enamide is CC(=CCc1cccc2ccccc12)C(N)=O.
What is the InChIKey of 2-methyl-4-naphthalen-1-ylbut-2-enamide?
The InChIKey is KOFXATDSRZOTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-11(15(16)17)9-10-13-7-4-6-12-5-2-3-8-14(12)13/h2-9H,10H2,1H3,(H2,16,17).
What are the key properties of 2-methyl-4-naphthalen-1-ylbut-2-enamide?
2-methyl-4-naphthalen-1-ylbut-2-enamide has a molecular weight of 225.29 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-naphthalen-1-ylbut-2-enamide is sourced from PubChem (CID 67637200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).