1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]-N-phenylethanimine

C21H21N — CID 23015921

IUPAC1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]-N-phenylethanimine
SMILESCC1=CC(C)=C(c2ccccc2/C(C)=N/c2ccccc2)C1
InChIInChI=1S/C21H21N/c1-15-13-16(2)21(14-15)20-12-8-7-11-19(20)17(3)22-18-9-5-4-6-10-18/h4-13H,14H2,1-3H3/b22-17+
InChIKeyNEXHNOWTSDMBFL-OQKWZONESA-N
MW287.41 g/mol
LogP5.95
Rot. Bonds3

About 1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]-N-phenylethanimine

1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]-N-phenylethanimine (PubChem CID 23015921) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]-N-phenylethanimine.

Molecular Properties

Compound Name1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]-N-phenylethanimine
PubChem CID23015921
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]-N-phenylethanimine
SMILESCC1=CC(C)=C(c2ccccc2/C(C)=N/c2ccccc2)C1
InChIInChI=1S/C21H21N/c1-15-13-16(2)21(14-15)20-12-8-7-11-19(20)17(3)22-18-9-5-4-6-10-18/h4-13H,14H2,1-3H3/b22-17+
InChIKeyNEXHNOWTSDMBFL-OQKWZONESA-N
XLogP5.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]-N-phenylethanimine?
The IUPAC name of 1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]-N-phenylethanimine (CID 23015921) is 1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]-N-phenylethanimine.
What is the SMILES notation for 1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]-N-phenylethanimine?
The canonical SMILES for 1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]-N-phenylethanimine is CC1=CC(C)=C(c2ccccc2/C(C)=N/c2ccccc2)C1.
What is the InChIKey of 1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]-N-phenylethanimine?
The InChIKey is NEXHNOWTSDMBFL-OQKWZONESA-N. The full InChI is InChI=1S/C21H21N/c1-15-13-16(2)21(14-15)20-12-8-7-11-19(20)17(3)22-18-9-5-4-6-10-18/h4-13H,14H2,1-3H3/b22-17+.
What are the key properties of 1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]-N-phenylethanimine?
1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]-N-phenylethanimine has a molecular weight of 287.41 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]-N-phenylethanimine is sourced from PubChem (CID 23015921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).