(E)-N-methoxy-1-[2-[(E)-2-phenylethenyl]cyclopenten-1-yl]methanimine

C15H17NO — CID 142575056

IUPAC(E)-N-methoxy-1-[2-[(E)-2-phenylethenyl]cyclopenten-1-yl]methanimine
SMILESCO/N=C/C1=C(/C=C/c2ccccc2)CCC1
InChIInChI=1S/C15H17NO/c1-17-16-12-15-9-5-8-14(15)11-10-13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3/b11-10+,16-12+
InChIKeyAWYKKDVEEJULGZ-NJLIKGMNSA-N
MW227.31 g/mol
LogP3.81
Rot. Bonds4

About (E)-N-methoxy-1-[2-[(E)-2-phenylethenyl]cyclopenten-1-yl]methanimine

(E)-N-methoxy-1-[2-[(E)-2-phenylethenyl]cyclopenten-1-yl]methanimine (PubChem CID 142575056) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (E)-N-methoxy-1-[2-[(E)-2-phenylethenyl]cyclopenten-1-yl]methanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-[2-[(E)-2-phenylethenyl]cyclopenten-1-yl]methanimine
PubChem CID142575056
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(E)-N-methoxy-1-[2-[(E)-2-phenylethenyl]cyclopenten-1-yl]methanimine
SMILESCO/N=C/C1=C(/C=C/c2ccccc2)CCC1
InChIInChI=1S/C15H17NO/c1-17-16-12-15-9-5-8-14(15)11-10-13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3/b11-10+,16-12+
InChIKeyAWYKKDVEEJULGZ-NJLIKGMNSA-N
XLogP3.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-1-[2-[(E)-2-phenylethenyl]cyclopenten-1-yl]methanimine?
The IUPAC name of (E)-N-methoxy-1-[2-[(E)-2-phenylethenyl]cyclopenten-1-yl]methanimine (CID 142575056) is (E)-N-methoxy-1-[2-[(E)-2-phenylethenyl]cyclopenten-1-yl]methanimine.
What is the SMILES notation for (E)-N-methoxy-1-[2-[(E)-2-phenylethenyl]cyclopenten-1-yl]methanimine?
The canonical SMILES for (E)-N-methoxy-1-[2-[(E)-2-phenylethenyl]cyclopenten-1-yl]methanimine is CO/N=C/C1=C(/C=C/c2ccccc2)CCC1.
What is the InChIKey of (E)-N-methoxy-1-[2-[(E)-2-phenylethenyl]cyclopenten-1-yl]methanimine?
The InChIKey is AWYKKDVEEJULGZ-NJLIKGMNSA-N. The full InChI is InChI=1S/C15H17NO/c1-17-16-12-15-9-5-8-14(15)11-10-13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3/b11-10+,16-12+.
What are the key properties of (E)-N-methoxy-1-[2-[(E)-2-phenylethenyl]cyclopenten-1-yl]methanimine?
(E)-N-methoxy-1-[2-[(E)-2-phenylethenyl]cyclopenten-1-yl]methanimine has a molecular weight of 227.31 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-[2-[(E)-2-phenylethenyl]cyclopenten-1-yl]methanimine is sourced from PubChem (CID 142575056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).