(Z,E)-N-methoxy-7-phenylhept-5-en-2-imine

C14H19NO — CID 5371509

IUPAC(Z,E)-N-methoxy-7-phenylhept-5-en-2-imine
SMILESCO/N=C(/C)CC/C=C/Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-13(15-16-2)9-5-3-6-10-14-11-7-4-8-12-14/h3-4,6-8,11-12H,5,9-10H2,1-2H3/b6-3+,15-13-
InChIKeyVGJDCGYGHXFWQK-UAPPOECJSA-N
MW217.31 g/mol
LogP3.59
Rot. Bonds6

About (Z,E)-N-methoxy-7-phenylhept-5-en-2-imine

(Z,E)-N-methoxy-7-phenylhept-5-en-2-imine (PubChem CID 5371509) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (Z,E)-N-methoxy-7-phenylhept-5-en-2-imine.

Molecular Properties

Compound Name(Z,E)-N-methoxy-7-phenylhept-5-en-2-imine
PubChem CID5371509
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(Z,E)-N-methoxy-7-phenylhept-5-en-2-imine
SMILESCO/N=C(/C)CC/C=C/Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-13(15-16-2)9-5-3-6-10-14-11-7-4-8-12-14/h3-4,6-8,11-12H,5,9-10H2,1-2H3/b6-3+,15-13-
InChIKeyVGJDCGYGHXFWQK-UAPPOECJSA-N
XLogP3.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (Z,E)-N-methoxy-7-phenylhept-5-en-2-imine?
The IUPAC name of (Z,E)-N-methoxy-7-phenylhept-5-en-2-imine (CID 5371509) is (Z,E)-N-methoxy-7-phenylhept-5-en-2-imine.
What is the SMILES notation for (Z,E)-N-methoxy-7-phenylhept-5-en-2-imine?
The canonical SMILES for (Z,E)-N-methoxy-7-phenylhept-5-en-2-imine is CO/N=C(/C)CC/C=C/Cc1ccccc1.
What is the InChIKey of (Z,E)-N-methoxy-7-phenylhept-5-en-2-imine?
The InChIKey is VGJDCGYGHXFWQK-UAPPOECJSA-N. The full InChI is InChI=1S/C14H19NO/c1-13(15-16-2)9-5-3-6-10-14-11-7-4-8-12-14/h3-4,6-8,11-12H,5,9-10H2,1-2H3/b6-3+,15-13-.
What are the key properties of (Z,E)-N-methoxy-7-phenylhept-5-en-2-imine?
(Z,E)-N-methoxy-7-phenylhept-5-en-2-imine has a molecular weight of 217.31 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,E)-N-methoxy-7-phenylhept-5-en-2-imine is sourced from PubChem (CID 5371509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).