2-[(2,4,6-trimethylphenyl)iminomethyl]cyclopenta-2,4-dien-1-ol

C15H17NO — CID 101476751

IUPAC2-[(2,4,6-trimethylphenyl)iminomethyl]cyclopenta-2,4-dien-1-ol
SMILESCc1cc(C)c(/N=C/C2=CC=CC2O)c(C)c1
InChIInChI=1S/C15H17NO/c1-10-7-11(2)15(12(3)8-10)16-9-13-5-4-6-14(13)17/h4-9,14,17H,1-3H3/b16-9+
InChIKeyYYXJMRWDKVZHFL-CXUHLZMHSA-N
MW227.31 g/mol
LogP3.17
Rot. Bonds2

About 2-[(2,4,6-trimethylphenyl)iminomethyl]cyclopenta-2,4-dien-1-ol

2-[(2,4,6-trimethylphenyl)iminomethyl]cyclopenta-2,4-dien-1-ol (PubChem CID 101476751) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[(2,4,6-trimethylphenyl)iminomethyl]cyclopenta-2,4-dien-1-ol.

Molecular Properties

Compound Name2-[(2,4,6-trimethylphenyl)iminomethyl]cyclopenta-2,4-dien-1-ol
PubChem CID101476751
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-[(2,4,6-trimethylphenyl)iminomethyl]cyclopenta-2,4-dien-1-ol
SMILESCc1cc(C)c(/N=C/C2=CC=CC2O)c(C)c1
InChIInChI=1S/C15H17NO/c1-10-7-11(2)15(12(3)8-10)16-9-13-5-4-6-14(13)17/h4-9,14,17H,1-3H3/b16-9+
InChIKeyYYXJMRWDKVZHFL-CXUHLZMHSA-N
XLogP3.17
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-[(2,4,6-trimethylphenyl)iminomethyl]cyclopenta-2,4-dien-1-ol?
The IUPAC name of 2-[(2,4,6-trimethylphenyl)iminomethyl]cyclopenta-2,4-dien-1-ol (CID 101476751) is 2-[(2,4,6-trimethylphenyl)iminomethyl]cyclopenta-2,4-dien-1-ol.
What is the SMILES notation for 2-[(2,4,6-trimethylphenyl)iminomethyl]cyclopenta-2,4-dien-1-ol?
The canonical SMILES for 2-[(2,4,6-trimethylphenyl)iminomethyl]cyclopenta-2,4-dien-1-ol is Cc1cc(C)c(/N=C/C2=CC=CC2O)c(C)c1.
What is the InChIKey of 2-[(2,4,6-trimethylphenyl)iminomethyl]cyclopenta-2,4-dien-1-ol?
The InChIKey is YYXJMRWDKVZHFL-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H17NO/c1-10-7-11(2)15(12(3)8-10)16-9-13-5-4-6-14(13)17/h4-9,14,17H,1-3H3/b16-9+.
What are the key properties of 2-[(2,4,6-trimethylphenyl)iminomethyl]cyclopenta-2,4-dien-1-ol?
2-[(2,4,6-trimethylphenyl)iminomethyl]cyclopenta-2,4-dien-1-ol has a molecular weight of 227.31 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,6-trimethylphenyl)iminomethyl]cyclopenta-2,4-dien-1-ol is sourced from PubChem (CID 101476751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).