(2Z,4E)-N,4-dimethyl-5-(2-methylcyclohepta-1,3,6-trien-1-yl)oxypenta-2,4-dien-1-imine

C15H19NO — CID 142272143

IUPAC(2Z,4E)-N,4-dimethyl-5-(2-methylcyclohepta-1,3,6-trien-1-yl)oxypenta-2,4-dien-1-imine
SMILESC/N=C/C=C\C(C)=C\OC1=C(C)C=CCC=C1
InChIInChI=1S/C15H19NO/c1-13(8-7-11-16-3)12-17-15-10-6-4-5-9-14(15)2/h5-12H,4H2,1-3H3/b8-7-,13-12+,16-11+
InChIKeyJAWKXJVCGGWGFQ-NNUCWZQKSA-N
MW229.32 g/mol
LogP3.95
Rot. Bonds4

About (2Z,4E)-N,4-dimethyl-5-(2-methylcyclohepta-1,3,6-trien-1-yl)oxypenta-2,4-dien-1-imine

(2Z,4E)-N,4-dimethyl-5-(2-methylcyclohepta-1,3,6-trien-1-yl)oxypenta-2,4-dien-1-imine (PubChem CID 142272143) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (2Z,4E)-N,4-dimethyl-5-(2-methylcyclohepta-1,3,6-trien-1-yl)oxypenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-N,4-dimethyl-5-(2-methylcyclohepta-1,3,6-trien-1-yl)oxypenta-2,4-dien-1-imine
PubChem CID142272143
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(2Z,4E)-N,4-dimethyl-5-(2-methylcyclohepta-1,3,6-trien-1-yl)oxypenta-2,4-dien-1-imine
SMILESC/N=C/C=C\C(C)=C\OC1=C(C)C=CCC=C1
InChIInChI=1S/C15H19NO/c1-13(8-7-11-16-3)12-17-15-10-6-4-5-9-14(15)2/h5-12H,4H2,1-3H3/b8-7-,13-12+,16-11+
InChIKeyJAWKXJVCGGWGFQ-NNUCWZQKSA-N
XLogP3.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.95
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N,4-dimethyl-5-(2-methylcyclohepta-1,3,6-trien-1-yl)oxypenta-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-N,4-dimethyl-5-(2-methylcyclohepta-1,3,6-trien-1-yl)oxypenta-2,4-dien-1-imine (CID 142272143) is (2Z,4E)-N,4-dimethyl-5-(2-methylcyclohepta-1,3,6-trien-1-yl)oxypenta-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-N,4-dimethyl-5-(2-methylcyclohepta-1,3,6-trien-1-yl)oxypenta-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-N,4-dimethyl-5-(2-methylcyclohepta-1,3,6-trien-1-yl)oxypenta-2,4-dien-1-imine is C/N=C/C=C\C(C)=C\OC1=C(C)C=CCC=C1.
What is the InChIKey of (2Z,4E)-N,4-dimethyl-5-(2-methylcyclohepta-1,3,6-trien-1-yl)oxypenta-2,4-dien-1-imine?
The InChIKey is JAWKXJVCGGWGFQ-NNUCWZQKSA-N. The full InChI is InChI=1S/C15H19NO/c1-13(8-7-11-16-3)12-17-15-10-6-4-5-9-14(15)2/h5-12H,4H2,1-3H3/b8-7-,13-12+,16-11+.
What are the key properties of (2Z,4E)-N,4-dimethyl-5-(2-methylcyclohepta-1,3,6-trien-1-yl)oxypenta-2,4-dien-1-imine?
(2Z,4E)-N,4-dimethyl-5-(2-methylcyclohepta-1,3,6-trien-1-yl)oxypenta-2,4-dien-1-imine has a molecular weight of 229.32 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N,4-dimethyl-5-(2-methylcyclohepta-1,3,6-trien-1-yl)oxypenta-2,4-dien-1-imine is sourced from PubChem (CID 142272143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).