(2E)-2-[3-[(E)-prop-1-enyl]cyclohex-2-en-1-ylidene]ethanimine

C11H15N — CID 143532413

IUPAC(2E)-2-[3-[(E)-prop-1-enyl]cyclohex-2-en-1-ylidene]ethanimine
SMILES[H]/N=C/C=C1/C=C(/C=C/C)CCC1
InChIInChI=1S/C11H15N/c1-2-4-10-5-3-6-11(9-10)7-8-12/h2,4,7-9,12H,3,5-6H2,1H3/b4-2+,11-7+,12-8+
InChIKeyNAPVSDHDBNYESY-PWNMVGMZSA-N
MW161.25 g/mol
LogP3.25
Rot. Bonds2

About (2E)-2-[3-[(E)-prop-1-enyl]cyclohex-2-en-1-ylidene]ethanimine

(2E)-2-[3-[(E)-prop-1-enyl]cyclohex-2-en-1-ylidene]ethanimine (PubChem CID 143532413) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (2E)-2-[3-[(E)-prop-1-enyl]cyclohex-2-en-1-ylidene]ethanimine.

Molecular Properties

Compound Name(2E)-2-[3-[(E)-prop-1-enyl]cyclohex-2-en-1-ylidene]ethanimine
PubChem CID143532413
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(2E)-2-[3-[(E)-prop-1-enyl]cyclohex-2-en-1-ylidene]ethanimine
SMILES[H]/N=C/C=C1/C=C(/C=C/C)CCC1
InChIInChI=1S/C11H15N/c1-2-4-10-5-3-6-11(9-10)7-8-12/h2,4,7-9,12H,3,5-6H2,1H3/b4-2+,11-7+,12-8+
InChIKeyNAPVSDHDBNYESY-PWNMVGMZSA-N
XLogP3.25
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.25
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 (2E)-2-[3-[(E)-prop-1-enyl]cyclohex-2-en-1-ylidene]ethanimine?
The IUPAC name of (2E)-2-[3-[(E)-prop-1-enyl]cyclohex-2-en-1-ylidene]ethanimine (CID 143532413) is (2E)-2-[3-[(E)-prop-1-enyl]cyclohex-2-en-1-ylidene]ethanimine.
What is the SMILES notation for (2E)-2-[3-[(E)-prop-1-enyl]cyclohex-2-en-1-ylidene]ethanimine?
The canonical SMILES for (2E)-2-[3-[(E)-prop-1-enyl]cyclohex-2-en-1-ylidene]ethanimine is [H]/N=C/C=C1/C=C(/C=C/C)CCC1.
What is the InChIKey of (2E)-2-[3-[(E)-prop-1-enyl]cyclohex-2-en-1-ylidene]ethanimine?
The InChIKey is NAPVSDHDBNYESY-PWNMVGMZSA-N. The full InChI is InChI=1S/C11H15N/c1-2-4-10-5-3-6-11(9-10)7-8-12/h2,4,7-9,12H,3,5-6H2,1H3/b4-2+,11-7+,12-8+.
What are the key properties of (2E)-2-[3-[(E)-prop-1-enyl]cyclohex-2-en-1-ylidene]ethanimine?
(2E)-2-[3-[(E)-prop-1-enyl]cyclohex-2-en-1-ylidene]ethanimine has a molecular weight of 161.25 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[3-[(E)-prop-1-enyl]cyclohex-2-en-1-ylidene]ethanimine is sourced from PubChem (CID 143532413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).