(Z)-3-(2,5,6-trimethylcyclohexa-2,4-dien-1-yl)prop-2-en-1-imine

C12H17N — CID 118478139

IUPAC(Z)-3-(2,5,6-trimethylcyclohexa-2,4-dien-1-yl)prop-2-en-1-imine
SMILES[H]/N=C/C=C\C1C(C)=CC=C(C)C1C
InChIInChI=1S/C12H17N/c1-9-6-7-10(2)12(11(9)3)5-4-8-13/h4-8,11-13H,1-3H3/b5-4-,13-8+
InChIKeyJOVVDJMFBORKSV-YQBUSFMTSA-N
MW175.27 g/mol
LogP3.35
Rot. Bonds2

About (Z)-3-(2,5,6-trimethylcyclohexa-2,4-dien-1-yl)prop-2-en-1-imine

(Z)-3-(2,5,6-trimethylcyclohexa-2,4-dien-1-yl)prop-2-en-1-imine (PubChem CID 118478139) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (Z)-3-(2,5,6-trimethylcyclohexa-2,4-dien-1-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-(2,5,6-trimethylcyclohexa-2,4-dien-1-yl)prop-2-en-1-imine
PubChem CID118478139
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(Z)-3-(2,5,6-trimethylcyclohexa-2,4-dien-1-yl)prop-2-en-1-imine
SMILES[H]/N=C/C=C\C1C(C)=CC=C(C)C1C
InChIInChI=1S/C12H17N/c1-9-6-7-10(2)12(11(9)3)5-4-8-13/h4-8,11-13H,1-3H3/b5-4-,13-8+
InChIKeyJOVVDJMFBORKSV-YQBUSFMTSA-N
XLogP3.35
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.35
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-(2,5,6-trimethylcyclohexa-2,4-dien-1-yl)prop-2-en-1-imine?
The IUPAC name of (Z)-3-(2,5,6-trimethylcyclohexa-2,4-dien-1-yl)prop-2-en-1-imine (CID 118478139) is (Z)-3-(2,5,6-trimethylcyclohexa-2,4-dien-1-yl)prop-2-en-1-imine.
What is the SMILES notation for (Z)-3-(2,5,6-trimethylcyclohexa-2,4-dien-1-yl)prop-2-en-1-imine?
The canonical SMILES for (Z)-3-(2,5,6-trimethylcyclohexa-2,4-dien-1-yl)prop-2-en-1-imine is [H]/N=C/C=C\C1C(C)=CC=C(C)C1C.
What is the InChIKey of (Z)-3-(2,5,6-trimethylcyclohexa-2,4-dien-1-yl)prop-2-en-1-imine?
The InChIKey is JOVVDJMFBORKSV-YQBUSFMTSA-N. The full InChI is InChI=1S/C12H17N/c1-9-6-7-10(2)12(11(9)3)5-4-8-13/h4-8,11-13H,1-3H3/b5-4-,13-8+.
What are the key properties of (Z)-3-(2,5,6-trimethylcyclohexa-2,4-dien-1-yl)prop-2-en-1-imine?
(Z)-3-(2,5,6-trimethylcyclohexa-2,4-dien-1-yl)prop-2-en-1-imine has a molecular weight of 175.27 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,5,6-trimethylcyclohexa-2,4-dien-1-yl)prop-2-en-1-imine is sourced from PubChem (CID 118478139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).