(2E)-2-cyclohexa-2,4-dien-1-ylidene-2-cyclopropyl-N-ethylethanimine

C13H17N — CID 129107475

IUPAC(2E)-2-cyclohexa-2,4-dien-1-ylidene-2-cyclopropyl-N-ethylethanimine
SMILESCC/N=C/C(=C1/C=CC=CC1)C1CC1
InChIInChI=1S/C13H17N/c1-2-14-10-13(12-8-9-12)11-6-4-3-5-7-11/h3-6,10,12H,2,7-9H2,1H3/b13-11+,14-10+
InChIKeyIMBYQDWFKOFRPQ-CKNIOMRDSA-N
MW187.29 g/mol
LogP3.30
Rot. Bonds3

About (2E)-2-cyclohexa-2,4-dien-1-ylidene-2-cyclopropyl-N-ethylethanimine

(2E)-2-cyclohexa-2,4-dien-1-ylidene-2-cyclopropyl-N-ethylethanimine (PubChem CID 129107475) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (2E)-2-cyclohexa-2,4-dien-1-ylidene-2-cyclopropyl-N-ethylethanimine.

Molecular Properties

Compound Name(2E)-2-cyclohexa-2,4-dien-1-ylidene-2-cyclopropyl-N-ethylethanimine
PubChem CID129107475
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(2E)-2-cyclohexa-2,4-dien-1-ylidene-2-cyclopropyl-N-ethylethanimine
SMILESCC/N=C/C(=C1/C=CC=CC1)C1CC1
InChIInChI=1S/C13H17N/c1-2-14-10-13(12-8-9-12)11-6-4-3-5-7-11/h3-6,10,12H,2,7-9H2,1H3/b13-11+,14-10+
InChIKeyIMBYQDWFKOFRPQ-CKNIOMRDSA-N
XLogP3.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.30
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 (2E)-2-cyclohexa-2,4-dien-1-ylidene-2-cyclopropyl-N-ethylethanimine?
The IUPAC name of (2E)-2-cyclohexa-2,4-dien-1-ylidene-2-cyclopropyl-N-ethylethanimine (CID 129107475) is (2E)-2-cyclohexa-2,4-dien-1-ylidene-2-cyclopropyl-N-ethylethanimine.
What is the SMILES notation for (2E)-2-cyclohexa-2,4-dien-1-ylidene-2-cyclopropyl-N-ethylethanimine?
The canonical SMILES for (2E)-2-cyclohexa-2,4-dien-1-ylidene-2-cyclopropyl-N-ethylethanimine is CC/N=C/C(=C1/C=CC=CC1)C1CC1.
What is the InChIKey of (2E)-2-cyclohexa-2,4-dien-1-ylidene-2-cyclopropyl-N-ethylethanimine?
The InChIKey is IMBYQDWFKOFRPQ-CKNIOMRDSA-N. The full InChI is InChI=1S/C13H17N/c1-2-14-10-13(12-8-9-12)11-6-4-3-5-7-11/h3-6,10,12H,2,7-9H2,1H3/b13-11+,14-10+.
What are the key properties of (2E)-2-cyclohexa-2,4-dien-1-ylidene-2-cyclopropyl-N-ethylethanimine?
(2E)-2-cyclohexa-2,4-dien-1-ylidene-2-cyclopropyl-N-ethylethanimine has a molecular weight of 187.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-cyclohexa-2,4-dien-1-ylidene-2-cyclopropyl-N-ethylethanimine is sourced from PubChem (CID 129107475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).