5-[(E)-pent-1-enyl]bicyclo[2.2.1]hept-2-ene

C12H18 — CID 18522509

IUPAC5-[(E)-pent-1-enyl]bicyclo[2.2.1]hept-2-ene
SMILESCCC/C=C/C1CC2C=CC1C2
InChIInChI=1S/C12H18/c1-2-3-4-5-11-8-10-6-7-12(11)9-10/h4-7,10-12H,2-3,8-9H2,1H3/b5-4+
InChIKeyBMBRMPPJVCAJDP-SNAWJCMRSA-N
MW162.28 g/mol
LogP3.55
Rot. Bonds3

About 5-[(E)-pent-1-enyl]bicyclo[2.2.1]hept-2-ene

5-[(E)-pent-1-enyl]bicyclo[2.2.1]hept-2-ene (PubChem CID 18522509) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 5-[(E)-pent-1-enyl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-[(E)-pent-1-enyl]bicyclo[2.2.1]hept-2-ene
PubChem CID18522509
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name5-[(E)-pent-1-enyl]bicyclo[2.2.1]hept-2-ene
SMILESCCC/C=C/C1CC2C=CC1C2
InChIInChI=1S/C12H18/c1-2-3-4-5-11-8-10-6-7-12(11)9-10/h4-7,10-12H,2-3,8-9H2,1H3/b5-4+
InChIKeyBMBRMPPJVCAJDP-SNAWJCMRSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-pent-1-enyl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-[(E)-pent-1-enyl]bicyclo[2.2.1]hept-2-ene (CID 18522509) is 5-[(E)-pent-1-enyl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-[(E)-pent-1-enyl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-[(E)-pent-1-enyl]bicyclo[2.2.1]hept-2-ene is CCC/C=C/C1CC2C=CC1C2.
What is the InChIKey of 5-[(E)-pent-1-enyl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is BMBRMPPJVCAJDP-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H18/c1-2-3-4-5-11-8-10-6-7-12(11)9-10/h4-7,10-12H,2-3,8-9H2,1H3/b5-4+.
What are the key properties of 5-[(E)-pent-1-enyl]bicyclo[2.2.1]hept-2-ene?
5-[(E)-pent-1-enyl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 162.28 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-pent-1-enyl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 18522509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).