3-prop-1-enylcyclohexene

C9H14 — CID 152698334

IUPAC3-prop-1-enylcyclohexene
SMILESCC=CC1C=CCCC1
InChIInChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h2,4,6-7,9H,3,5,8H2,1H3
InChIKeyZRARUBPHYPNEAP-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.92
Rot. Bonds1

About 3-prop-1-enylcyclohexene

3-prop-1-enylcyclohexene (PubChem CID 152698334) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 3-prop-1-enylcyclohexene.

Molecular Properties

Compound Name3-prop-1-enylcyclohexene
PubChem CID152698334
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name3-prop-1-enylcyclohexene
SMILESCC=CC1C=CCCC1
InChIInChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h2,4,6-7,9H,3,5,8H2,1H3
InChIKeyZRARUBPHYPNEAP-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[(1E,3E)-penta-1,3-dienyl]cyclohexene
CID 101128048
3-[(E)-hex-1-enyl]cyclohexene
CID 5358331
3-[(Z)-hex-1-enyl]cyclohexene
CID 177486047
3-[(E)-oct-1-enyl]cyclohexene
CID 12576320
7-[(E)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine
CID 170098821
3-[(E)-2-iodoethenyl]cyclopentene
CID 142638500
1-cyclohex-2-en-1-ylbut-2-en-1-ol
CID 163436872
(3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene
CID 95564793
ethane;3-methylcyclohexene
CID 145337562
but-2-ene;cyclohexene
CID 157160535
3-[(Z)-2-bromodec-1-enyl]cyclohexene
CID 71493572
3-[(E)-2-bromo-3-cyclohexylprop-1-enyl]cyclohexene
CID 71493570

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-enylcyclohexene?
The IUPAC name of 3-prop-1-enylcyclohexene (CID 152698334) is 3-prop-1-enylcyclohexene.
What is the SMILES notation for 3-prop-1-enylcyclohexene?
The canonical SMILES for 3-prop-1-enylcyclohexene is CC=CC1C=CCCC1.
What is the InChIKey of 3-prop-1-enylcyclohexene?
The InChIKey is ZRARUBPHYPNEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h2,4,6-7,9H,3,5,8H2,1H3.
What are the key properties of 3-prop-1-enylcyclohexene?
3-prop-1-enylcyclohexene has a molecular weight of 122.21 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-enylcyclohexene is sourced from PubChem (CID 152698334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).