(1R,5S)-bicyclo[3.2.0]hept-2-ene

C7H10 — CID 141236414

IUPAC(1R,5S)-bicyclo[3.2.0]hept-2-ene
SMILESC1=C[C@@H]2CC[C@H]2C1
InChIInChI=1S/C7H10/c1-2-6-4-5-7(6)3-1/h1-2,6-7H,3-5H2/t6-,7-/m1/s1
InChIKeySLCAVPTUVCCIIB-RNFRBKRXSA-N
MW94.16 g/mol
LogP1.97
Rot. Bonds

About (1R,5S)-bicyclo[3.2.0]hept-2-ene

(1R,5S)-bicyclo[3.2.0]hept-2-ene (PubChem CID 141236414) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is (1R,5S)-bicyclo[3.2.0]hept-2-ene.

Molecular Properties

Compound Name(1R,5S)-bicyclo[3.2.0]hept-2-ene
PubChem CID141236414
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name(1R,5S)-bicyclo[3.2.0]hept-2-ene
SMILESC1=C[C@@H]2CC[C@H]2C1
InChIInChI=1S/C7H10/c1-2-6-4-5-7(6)3-1/h1-2,6-7H,3-5H2/t6-,7-/m1/s1
InChIKeySLCAVPTUVCCIIB-RNFRBKRXSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 51.97
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 (1R,5S)-bicyclo[3.2.0]hept-2-ene?
The IUPAC name of (1R,5S)-bicyclo[3.2.0]hept-2-ene (CID 141236414) is (1R,5S)-bicyclo[3.2.0]hept-2-ene.
What is the SMILES notation for (1R,5S)-bicyclo[3.2.0]hept-2-ene?
The canonical SMILES for (1R,5S)-bicyclo[3.2.0]hept-2-ene is C1=C[C@@H]2CC[C@H]2C1.
What is the InChIKey of (1R,5S)-bicyclo[3.2.0]hept-2-ene?
The InChIKey is SLCAVPTUVCCIIB-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H10/c1-2-6-4-5-7(6)3-1/h1-2,6-7H,3-5H2/t6-,7-/m1/s1.
What are the key properties of (1R,5S)-bicyclo[3.2.0]hept-2-ene?
(1R,5S)-bicyclo[3.2.0]hept-2-ene has a molecular weight of 94.16 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-bicyclo[3.2.0]hept-2-ene is sourced from PubChem (CID 141236414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).