(2Z,3Z,5Z)-2-(2-methylspiro[2.5]octa-4,6-dien-8-ylidene)hepta-3,5-dien-1-imine

C16H19N — CID 143269261

IUPAC(2Z,3Z,5Z)-2-(2-methylspiro[2.5]octa-4,6-dien-8-ylidene)hepta-3,5-dien-1-imine
SMILES[H]/N=C/C(/C=C\C=C/C)=C1/C=CC=CC12CC2C
InChIInChI=1S/C16H19N/c1-3-4-5-8-14(12-17)15-9-6-7-10-16(15)11-13(16)2/h3-10,12-13,17H,11H2,1-2H3/b4-3-,8-5-,15-14-,17-12+
InChIKeyWOGLYPLUZMFQSF-AERPJUEKSA-N
MW225.34 g/mol
LogP4.22
Rot. Bonds3

About (2Z,3Z,5Z)-2-(2-methylspiro[2.5]octa-4,6-dien-8-ylidene)hepta-3,5-dien-1-imine

(2Z,3Z,5Z)-2-(2-methylspiro[2.5]octa-4,6-dien-8-ylidene)hepta-3,5-dien-1-imine (PubChem CID 143269261) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is (2Z,3Z,5Z)-2-(2-methylspiro[2.5]octa-4,6-dien-8-ylidene)hepta-3,5-dien-1-imine.

Molecular Properties

Compound Name(2Z,3Z,5Z)-2-(2-methylspiro[2.5]octa-4,6-dien-8-ylidene)hepta-3,5-dien-1-imine
PubChem CID143269261
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name(2Z,3Z,5Z)-2-(2-methylspiro[2.5]octa-4,6-dien-8-ylidene)hepta-3,5-dien-1-imine
SMILES[H]/N=C/C(/C=C\C=C/C)=C1/C=CC=CC12CC2C
InChIInChI=1S/C16H19N/c1-3-4-5-8-14(12-17)15-9-6-7-10-16(15)11-13(16)2/h3-10,12-13,17H,11H2,1-2H3/b4-3-,8-5-,15-14-,17-12+
InChIKeyWOGLYPLUZMFQSF-AERPJUEKSA-N
XLogP4.22
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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,3Z,5Z)-2-(2-methylspiro[2.5]octa-4,6-dien-8-ylidene)hepta-3,5-dien-1-imine?
The IUPAC name of (2Z,3Z,5Z)-2-(2-methylspiro[2.5]octa-4,6-dien-8-ylidene)hepta-3,5-dien-1-imine (CID 143269261) is (2Z,3Z,5Z)-2-(2-methylspiro[2.5]octa-4,6-dien-8-ylidene)hepta-3,5-dien-1-imine.
What is the SMILES notation for (2Z,3Z,5Z)-2-(2-methylspiro[2.5]octa-4,6-dien-8-ylidene)hepta-3,5-dien-1-imine?
The canonical SMILES for (2Z,3Z,5Z)-2-(2-methylspiro[2.5]octa-4,6-dien-8-ylidene)hepta-3,5-dien-1-imine is [H]/N=C/C(/C=C\C=C/C)=C1/C=CC=CC12CC2C.
What is the InChIKey of (2Z,3Z,5Z)-2-(2-methylspiro[2.5]octa-4,6-dien-8-ylidene)hepta-3,5-dien-1-imine?
The InChIKey is WOGLYPLUZMFQSF-AERPJUEKSA-N. The full InChI is InChI=1S/C16H19N/c1-3-4-5-8-14(12-17)15-9-6-7-10-16(15)11-13(16)2/h3-10,12-13,17H,11H2,1-2H3/b4-3-,8-5-,15-14-,17-12+.
What are the key properties of (2Z,3Z,5Z)-2-(2-methylspiro[2.5]octa-4,6-dien-8-ylidene)hepta-3,5-dien-1-imine?
(2Z,3Z,5Z)-2-(2-methylspiro[2.5]octa-4,6-dien-8-ylidene)hepta-3,5-dien-1-imine has a molecular weight of 225.34 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z,5Z)-2-(2-methylspiro[2.5]octa-4,6-dien-8-ylidene)hepta-3,5-dien-1-imine is sourced from PubChem (CID 143269261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).