2-[(Z)-prop-1-enyl]bicyclo[2.2.1]hepta-2,5-diene

C10H12 — CID 173026536

IUPAC2-[(Z)-prop-1-enyl]bicyclo[2.2.1]hepta-2,5-diene
SMILESC/C=C\C1=CC2C=CC1C2
InChIInChI=1S/C10H12/c1-2-3-9-6-8-4-5-10(9)7-8/h2-6,8,10H,7H2,1H3/b3-2-
InChIKeyYYBDEBBSYQNIDZ-IHWYPQMZSA-N
MW132.21 g/mol
LogP2.69
Rot. Bonds1

About 2-[(Z)-prop-1-enyl]bicyclo[2.2.1]hepta-2,5-diene

2-[(Z)-prop-1-enyl]bicyclo[2.2.1]hepta-2,5-diene (PubChem CID 173026536) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is 2-[(Z)-prop-1-enyl]bicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name2-[(Z)-prop-1-enyl]bicyclo[2.2.1]hepta-2,5-diene
PubChem CID173026536
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name2-[(Z)-prop-1-enyl]bicyclo[2.2.1]hepta-2,5-diene
SMILESC/C=C\C1=CC2C=CC1C2
InChIInChI=1S/C10H12/c1-2-3-9-6-8-4-5-10(9)7-8/h2-6,8,10H,7H2,1H3/b3-2-
InChIKeyYYBDEBBSYQNIDZ-IHWYPQMZSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.69
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

bicyclo[2.2.1]hepta-2,5-diene-2-carbaldehyde
CID 12685274
bicyclo[2.2.1]hepta-2,5-diene-2-thiol
CID 121485650
2-(3-methylbutyl)bicyclo[2.2.1]hepta-2,5-diene
CID 23045340
2-(5-undecoxypentyl)bicyclo[2.2.1]hepta-2,5-diene
CID 122400520
(1R,4S)-2-[(S)-(4-methylphenyl)sulfinyl]bicyclo[2.2.1]hepta-2,5-diene
CID 51012800
2-hex-4-ynylbicyclo[2.2.1]hepta-2,5-diene
CID 15189129
methane;7-methyl-1-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene
CID 143402617
3-(2-bicyclo[2.2.1]hepta-2,5-dienylmethoxy)-N-methylpropan-1-imine oxide
CID 177450057
2-(prop-2-ynoxymethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 102380969
N-(5-methyl-2-prop-1-enylcyclohex-2-en-1-yl)ethanimine
CID 123440293
butyl bicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
CID 22754185
6-ethyl-4-[(E)-prop-1-enyl]cyclohepta-2,4-dien-1-ol
CID 130413034

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-prop-1-enyl]bicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 2-[(Z)-prop-1-enyl]bicyclo[2.2.1]hepta-2,5-diene (CID 173026536) is 2-[(Z)-prop-1-enyl]bicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 2-[(Z)-prop-1-enyl]bicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 2-[(Z)-prop-1-enyl]bicyclo[2.2.1]hepta-2,5-diene is C/C=C\C1=CC2C=CC1C2.
What is the InChIKey of 2-[(Z)-prop-1-enyl]bicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is YYBDEBBSYQNIDZ-IHWYPQMZSA-N. The full InChI is InChI=1S/C10H12/c1-2-3-9-6-8-4-5-10(9)7-8/h2-6,8,10H,7H2,1H3/b3-2-.
What are the key properties of 2-[(Z)-prop-1-enyl]bicyclo[2.2.1]hepta-2,5-diene?
2-[(Z)-prop-1-enyl]bicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 132.21 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-prop-1-enyl]bicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 173026536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).