(2Z)-2-prop-2-enylidenecyclohex-3-en-1-imine

C9H11N — CID 88997081

IUPAC(2Z)-2-prop-2-enylidenecyclohex-3-en-1-imine
SMILES[H]/N=C1\CCC=C\C1=C\C=C
InChIInChI=1S/C9H11N/c1-2-5-8-6-3-4-7-9(8)10/h2-3,5-6,10H,1,4,7H2/b8-5-,10-9+
InChIKeyMMWBECBTBFLYAZ-RGPKZFNQSA-N
MW133.19 g/mol
LogP2.47
Rot. Bonds1

About (2Z)-2-prop-2-enylidenecyclohex-3-en-1-imine

(2Z)-2-prop-2-enylidenecyclohex-3-en-1-imine (PubChem CID 88997081) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is (2Z)-2-prop-2-enylidenecyclohex-3-en-1-imine.

Molecular Properties

Compound Name(2Z)-2-prop-2-enylidenecyclohex-3-en-1-imine
PubChem CID88997081
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name(2Z)-2-prop-2-enylidenecyclohex-3-en-1-imine
SMILES[H]/N=C1\CCC=C\C1=C\C=C
InChIInChI=1S/C9H11N/c1-2-5-8-6-3-4-7-9(8)10/h2-3,5-6,10H,1,4,7H2/b8-5-,10-9+
InChIKeyMMWBECBTBFLYAZ-RGPKZFNQSA-N
XLogP2.47
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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 (2Z)-2-prop-2-enylidenecyclohex-3-en-1-imine?
The IUPAC name of (2Z)-2-prop-2-enylidenecyclohex-3-en-1-imine (CID 88997081) is (2Z)-2-prop-2-enylidenecyclohex-3-en-1-imine.
What is the SMILES notation for (2Z)-2-prop-2-enylidenecyclohex-3-en-1-imine?
The canonical SMILES for (2Z)-2-prop-2-enylidenecyclohex-3-en-1-imine is [H]/N=C1\CCC=C\C1=C\C=C.
What is the InChIKey of (2Z)-2-prop-2-enylidenecyclohex-3-en-1-imine?
The InChIKey is MMWBECBTBFLYAZ-RGPKZFNQSA-N. The full InChI is InChI=1S/C9H11N/c1-2-5-8-6-3-4-7-9(8)10/h2-3,5-6,10H,1,4,7H2/b8-5-,10-9+.
What are the key properties of (2Z)-2-prop-2-enylidenecyclohex-3-en-1-imine?
(2Z)-2-prop-2-enylidenecyclohex-3-en-1-imine has a molecular weight of 133.19 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-prop-2-enylidenecyclohex-3-en-1-imine is sourced from PubChem (CID 88997081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).