N-methoxy-7-phenylhept-5-en-2-imine

C14H19NO — CID 581035

IUPACN-methoxy-7-phenylhept-5-en-2-imine
SMILESCON=C(C)CCC=CCc1ccccc1
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
InChIKeyVGJDCGYGHXFWQK-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.59
Rot. Bonds6

About N-methoxy-7-phenylhept-5-en-2-imine

N-methoxy-7-phenylhept-5-en-2-imine (PubChem CID 581035) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-methoxy-7-phenylhept-5-en-2-imine.

Molecular Properties

Compound NameN-methoxy-7-phenylhept-5-en-2-imine
PubChem CID581035
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-methoxy-7-phenylhept-5-en-2-imine
SMILESCON=C(C)CCC=CCc1ccccc1
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
InChIKeyVGJDCGYGHXFWQK-UHFFFAOYSA-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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Related Compounds

(Z,E)-N-methoxy-7-phenylhept-5-en-2-imine
CID 5371509
5-chloropent-2-enylbenzene
CID 79603176
2-N,5-N-dimethoxyhexane-2,5-diimine
CID 13034305
(E)-6-phenylhex-4-enenitrile
CID 14381063
[(E)-oct-2-enyl]benzene
CID 13383320
ethyl (Z)-9-phenylnon-7-enoate
CID 102272083
ethyl (E)-9-phenylnon-7-enoate
CID 11230728
4-(4-phenylbut-2-enyl)phenol
CID 66608492
4-[(E)-4-phenylbut-2-enyl]phenol
CID 66608491
ethoxyethane;[(E)-oct-2-enyl]benzene
CID 67924606
[(E)-3-phenylprop-1-enyl] acetate
CID 13396779
1-methoxy-2-(4-phenylbut-2-enyl)benzene
CID 91447895

Frequently Asked Questions

What is the IUPAC name of N-methoxy-7-phenylhept-5-en-2-imine?
The IUPAC name of N-methoxy-7-phenylhept-5-en-2-imine (CID 581035) is N-methoxy-7-phenylhept-5-en-2-imine.
What is the SMILES notation for N-methoxy-7-phenylhept-5-en-2-imine?
The canonical SMILES for N-methoxy-7-phenylhept-5-en-2-imine is CON=C(C)CCC=CCc1ccccc1.
What is the InChIKey of N-methoxy-7-phenylhept-5-en-2-imine?
The InChIKey is VGJDCGYGHXFWQK-UHFFFAOYSA-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.
What are the key properties of N-methoxy-7-phenylhept-5-en-2-imine?
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 N-methoxy-7-phenylhept-5-en-2-imine is sourced from PubChem (CID 581035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).