N-[1-(1-methoxyethenyl)cyclopent-3-en-1-yl]-1,1-diphenylmethanimine

C21H21NO — CID 118899900

IUPACN-[1-(1-methoxyethenyl)cyclopent-3-en-1-yl]-1,1-diphenylmethanimine
SMILESC=C(OC)C1(N=C(c2ccccc2)c2ccccc2)CC=CC1
InChIInChI=1S/C21H21NO/c1-17(23-2)21(15-9-10-16-21)22-20(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-14H,1,15-16H2,2H3
InChIKeyMYEDCSPIIDUNTI-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.77
Rot. Bonds5

About N-[1-(1-methoxyethenyl)cyclopent-3-en-1-yl]-1,1-diphenylmethanimine

N-[1-(1-methoxyethenyl)cyclopent-3-en-1-yl]-1,1-diphenylmethanimine (PubChem CID 118899900) has the molecular formula C21H21NO and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[1-(1-methoxyethenyl)cyclopent-3-en-1-yl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[1-(1-methoxyethenyl)cyclopent-3-en-1-yl]-1,1-diphenylmethanimine
PubChem CID118899900
Molecular FormulaC21H21NO
Molecular Weight303.40 g/mol
Exact Mass303.16
IUPAC NameN-[1-(1-methoxyethenyl)cyclopent-3-en-1-yl]-1,1-diphenylmethanimine
SMILESC=C(OC)C1(N=C(c2ccccc2)c2ccccc2)CC=CC1
InChIInChI=1S/C21H21NO/c1-17(23-2)21(15-9-10-16-21)22-20(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-14H,1,15-16H2,2H3
InChIKeyMYEDCSPIIDUNTI-UHFFFAOYSA-N
XLogP4.77
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[1-(1-methoxyethenyl)cyclopent-3-en-1-yl]-1,1-diphenylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methoxyethenyl)cyclopent-3-en-1-yl]-1,1-diphenylmethanimine?
The IUPAC name of N-[1-(1-methoxyethenyl)cyclopent-3-en-1-yl]-1,1-diphenylmethanimine (CID 118899900) is N-[1-(1-methoxyethenyl)cyclopent-3-en-1-yl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[1-(1-methoxyethenyl)cyclopent-3-en-1-yl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[1-(1-methoxyethenyl)cyclopent-3-en-1-yl]-1,1-diphenylmethanimine is C=C(OC)C1(N=C(c2ccccc2)c2ccccc2)CC=CC1.
What is the InChIKey of N-[1-(1-methoxyethenyl)cyclopent-3-en-1-yl]-1,1-diphenylmethanimine?
The InChIKey is MYEDCSPIIDUNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-17(23-2)21(15-9-10-16-21)22-20(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-14H,1,15-16H2,2H3.
What are the key properties of N-[1-(1-methoxyethenyl)cyclopent-3-en-1-yl]-1,1-diphenylmethanimine?
N-[1-(1-methoxyethenyl)cyclopent-3-en-1-yl]-1,1-diphenylmethanimine has a molecular weight of 303.40 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methoxyethenyl)cyclopent-3-en-1-yl]-1,1-diphenylmethanimine is sourced from PubChem (CID 118899900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).