(4Z)-N-[(E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-enyl]hexa-1,4-dien-3-imine

C16H17N — CID 123834333

IUPAC(4Z)-N-[(E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-enyl]hexa-1,4-dien-3-imine
SMILESC=CC(/C=C\C)=N\C=C\C=c1\ccccc1=C
InChIInChI=1S/C16H17N/c1-4-9-16(5-2)17-13-8-12-15-11-7-6-10-14(15)3/h4-13H,2-3H2,1H3/b9-4-,13-8+,15-12-,17-16+
InChIKeyBCJHZUWKANATGQ-RBSVVZBFSA-N
MW223.32 g/mol
LogP2.59
Rot. Bonds4

About (4Z)-N-[(E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-enyl]hexa-1,4-dien-3-imine

(4Z)-N-[(E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-enyl]hexa-1,4-dien-3-imine (PubChem CID 123834333) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is (4Z)-N-[(E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-enyl]hexa-1,4-dien-3-imine.

Molecular Properties

Compound Name(4Z)-N-[(E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-enyl]hexa-1,4-dien-3-imine
PubChem CID123834333
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name(4Z)-N-[(E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-enyl]hexa-1,4-dien-3-imine
SMILESC=CC(/C=C\C)=N\C=C\C=c1\ccccc1=C
InChIInChI=1S/C16H17N/c1-4-9-16(5-2)17-13-8-12-15-11-7-6-10-14(15)3/h4-13H,2-3H2,1H3/b9-4-,13-8+,15-12-,17-16+
InChIKeyBCJHZUWKANATGQ-RBSVVZBFSA-N
XLogP2.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-N-[(E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-enyl]hexa-1,4-dien-3-imine?
The IUPAC name of (4Z)-N-[(E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-enyl]hexa-1,4-dien-3-imine (CID 123834333) is (4Z)-N-[(E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-enyl]hexa-1,4-dien-3-imine.
What is the SMILES notation for (4Z)-N-[(E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-enyl]hexa-1,4-dien-3-imine?
The canonical SMILES for (4Z)-N-[(E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-enyl]hexa-1,4-dien-3-imine is C=CC(/C=C\C)=N\C=C\C=c1\ccccc1=C.
What is the InChIKey of (4Z)-N-[(E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-enyl]hexa-1,4-dien-3-imine?
The InChIKey is BCJHZUWKANATGQ-RBSVVZBFSA-N. The full InChI is InChI=1S/C16H17N/c1-4-9-16(5-2)17-13-8-12-15-11-7-6-10-14(15)3/h4-13H,2-3H2,1H3/b9-4-,13-8+,15-12-,17-16+.
What are the key properties of (4Z)-N-[(E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-enyl]hexa-1,4-dien-3-imine?
(4Z)-N-[(E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-enyl]hexa-1,4-dien-3-imine has a molecular weight of 223.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-[(E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-enyl]hexa-1,4-dien-3-imine is sourced from PubChem (CID 123834333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).