(1S,5R)-bicyclo[3.2.0]hept-6-ene

C7H10 — CID 11182573

IUPAC(1S,5R)-bicyclo[3.2.0]hept-6-ene
SMILESC1=C[C@H]2CCC[C@@H]12
InChIInChI=1S/C7H10/c1-2-6-4-5-7(6)3-1/h4-7H,1-3H2/t6-,7+
InChIKeyLMULYBMQCQUKHQ-KNVOCYPGSA-N
MW94.16 g/mol
LogP1.97
Rot. Bonds

About (1S,5R)-bicyclo[3.2.0]hept-6-ene

(1S,5R)-bicyclo[3.2.0]hept-6-ene (PubChem CID 11182573) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is (1S,5R)-bicyclo[3.2.0]hept-6-ene.

Molecular Properties

Compound Name(1S,5R)-bicyclo[3.2.0]hept-6-ene
PubChem CID11182573
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name(1S,5R)-bicyclo[3.2.0]hept-6-ene
SMILESC1=C[C@H]2CCC[C@@H]12
InChIInChI=1S/C7H10/c1-2-6-4-5-7(6)3-1/h4-7H,1-3H2/t6-,7+
InChIKeyLMULYBMQCQUKHQ-KNVOCYPGSA-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 (1S,5R)-bicyclo[3.2.0]hept-6-ene?
The IUPAC name of (1S,5R)-bicyclo[3.2.0]hept-6-ene (CID 11182573) is (1S,5R)-bicyclo[3.2.0]hept-6-ene.
What is the SMILES notation for (1S,5R)-bicyclo[3.2.0]hept-6-ene?
The canonical SMILES for (1S,5R)-bicyclo[3.2.0]hept-6-ene is C1=C[C@H]2CCC[C@@H]12.
What is the InChIKey of (1S,5R)-bicyclo[3.2.0]hept-6-ene?
The InChIKey is LMULYBMQCQUKHQ-KNVOCYPGSA-N. The full InChI is InChI=1S/C7H10/c1-2-6-4-5-7(6)3-1/h4-7H,1-3H2/t6-,7+.
What are the key properties of (1S,5R)-bicyclo[3.2.0]hept-6-ene?
(1S,5R)-bicyclo[3.2.0]hept-6-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 (1S,5R)-bicyclo[3.2.0]hept-6-ene is sourced from PubChem (CID 11182573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).