(Z)-3-cyclohexa-1,3-dien-1-ylprop-2-en-1-imine

C9H11N — CID 88997044

IUPAC(Z)-3-cyclohexa-1,3-dien-1-ylprop-2-en-1-imine
SMILES[H]/N=C/C=C\C1=CC=CCC1
InChIInChI=1S/C9H11N/c10-8-4-7-9-5-2-1-3-6-9/h1-2,4-5,7-8,10H,3,6H2/b7-4-,10-8+
InChIKeyHGMWABOLKOULRP-WIXOJMCHSA-N
MW133.19 g/mol
LogP2.47
Rot. Bonds2

About (Z)-3-cyclohexa-1,3-dien-1-ylprop-2-en-1-imine

(Z)-3-cyclohexa-1,3-dien-1-ylprop-2-en-1-imine (PubChem CID 88997044) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is (Z)-3-cyclohexa-1,3-dien-1-ylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-cyclohexa-1,3-dien-1-ylprop-2-en-1-imine
PubChem CID88997044
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name(Z)-3-cyclohexa-1,3-dien-1-ylprop-2-en-1-imine
SMILES[H]/N=C/C=C\C1=CC=CCC1
InChIInChI=1S/C9H11N/c10-8-4-7-9-5-2-1-3-6-9/h1-2,4-5,7-8,10H,3,6H2/b7-4-,10-8+
InChIKeyHGMWABOLKOULRP-WIXOJMCHSA-N
XLogP2.47
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.47
H-Bond Donors ≤ 51
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 (Z)-3-cyclohexa-1,3-dien-1-ylprop-2-en-1-imine?
The IUPAC name of (Z)-3-cyclohexa-1,3-dien-1-ylprop-2-en-1-imine (CID 88997044) is (Z)-3-cyclohexa-1,3-dien-1-ylprop-2-en-1-imine.
What is the SMILES notation for (Z)-3-cyclohexa-1,3-dien-1-ylprop-2-en-1-imine?
The canonical SMILES for (Z)-3-cyclohexa-1,3-dien-1-ylprop-2-en-1-imine is [H]/N=C/C=C\C1=CC=CCC1.
What is the InChIKey of (Z)-3-cyclohexa-1,3-dien-1-ylprop-2-en-1-imine?
The InChIKey is HGMWABOLKOULRP-WIXOJMCHSA-N. The full InChI is InChI=1S/C9H11N/c10-8-4-7-9-5-2-1-3-6-9/h1-2,4-5,7-8,10H,3,6H2/b7-4-,10-8+.
What are the key properties of (Z)-3-cyclohexa-1,3-dien-1-ylprop-2-en-1-imine?
(Z)-3-cyclohexa-1,3-dien-1-ylprop-2-en-1-imine has a molecular weight of 133.19 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclohexa-1,3-dien-1-ylprop-2-en-1-imine is sourced from PubChem (CID 88997044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).