3-[(E)-prop-1-enyl]bicyclo[3.1.0]hexane

C9H14 — CID 154516435

IUPAC3-[(E)-prop-1-enyl]bicyclo[3.1.0]hexane
SMILESC/C=C/C1CC2CC2C1
InChIInChI=1S/C9H14/c1-2-3-7-4-8-6-9(8)5-7/h2-3,7-9H,4-6H2,1H3/b3-2+
InChIKeyKPDLIRZVFSLCQH-NSCUHMNNSA-N
MW122.21 g/mol
LogP2.61
Rot. Bonds1

About 3-[(E)-prop-1-enyl]bicyclo[3.1.0]hexane

3-[(E)-prop-1-enyl]bicyclo[3.1.0]hexane (PubChem CID 154516435) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 3-[(E)-prop-1-enyl]bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-[(E)-prop-1-enyl]bicyclo[3.1.0]hexane
PubChem CID154516435
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name3-[(E)-prop-1-enyl]bicyclo[3.1.0]hexane
SMILESC/C=C/C1CC2CC2C1
InChIInChI=1S/C9H14/c1-2-3-7-4-8-6-9(8)5-7/h2-3,7-9H,4-6H2,1H3/b3-2+
InChIKeyKPDLIRZVFSLCQH-NSCUHMNNSA-N
XLogP2.61
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 ≤ 52.61
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

1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane
CID 59431504
1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane
CID 123925830
prop-1-enylcyclododecane
CID 139760926
trans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane
CID 134897688
1-methyl-3-[(E)-prop-1-enyl]azetidine
CID 171094994
(1S,5S)-bicyclo[3.1.0]hexane-3-carbaldehyde
CID 124571824
methane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 159017755
4-[(E)-prop-1-enyl]cyclohexan-1-amine
CID 54523071
4-prop-1-enyloxane
CID 67943366
4-[(E)-prop-1-enyl]cyclohexan-1-ol
CID 14498680
1-cyclopropyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]cyclohexane
CID 158220965
1-ethoxy-4-[3-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 122676460

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enyl]bicyclo[3.1.0]hexane?
The IUPAC name of 3-[(E)-prop-1-enyl]bicyclo[3.1.0]hexane (CID 154516435) is 3-[(E)-prop-1-enyl]bicyclo[3.1.0]hexane.
What is the SMILES notation for 3-[(E)-prop-1-enyl]bicyclo[3.1.0]hexane?
The canonical SMILES for 3-[(E)-prop-1-enyl]bicyclo[3.1.0]hexane is C/C=C/C1CC2CC2C1.
What is the InChIKey of 3-[(E)-prop-1-enyl]bicyclo[3.1.0]hexane?
The InChIKey is KPDLIRZVFSLCQH-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H14/c1-2-3-7-4-8-6-9(8)5-7/h2-3,7-9H,4-6H2,1H3/b3-2+.
What are the key properties of 3-[(E)-prop-1-enyl]bicyclo[3.1.0]hexane?
3-[(E)-prop-1-enyl]bicyclo[3.1.0]hexane has a molecular weight of 122.21 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enyl]bicyclo[3.1.0]hexane is sourced from PubChem (CID 154516435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).