(1S,5R,6S)-bicyclo[3.2.0]hept-2-en-6-ol

C7H10O — CID 12648742

IUPAC(1S,5R,6S)-bicyclo[3.2.0]hept-2-en-6-ol
SMILESO[C@H]1C[C@H]2C=CC[C@H]21
InChIInChI=1S/C7H10O/c8-7-4-5-2-1-3-6(5)7/h1-2,5-8H,3-4H2/t5-,6-,7+/m1/s1
InChIKeyJIHKXPQKYMHTRG-QYNIQEEDSA-N
MW110.16 g/mol
LogP0.94
Rot. Bonds

About (1S,5R,6S)-bicyclo[3.2.0]hept-2-en-6-ol

(1S,5R,6S)-bicyclo[3.2.0]hept-2-en-6-ol (PubChem CID 12648742) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (1S,5R,6S)-bicyclo[3.2.0]hept-2-en-6-ol.

Molecular Properties

Compound Name(1S,5R,6S)-bicyclo[3.2.0]hept-2-en-6-ol
PubChem CID12648742
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(1S,5R,6S)-bicyclo[3.2.0]hept-2-en-6-ol
SMILESO[C@H]1C[C@H]2C=CC[C@H]21
InChIInChI=1S/C7H10O/c8-7-4-5-2-1-3-6(5)7/h1-2,5-8H,3-4H2/t5-,6-,7+/m1/s1
InChIKeyJIHKXPQKYMHTRG-QYNIQEEDSA-N
XLogP0.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,5S,6R)-bicyclo[3.2.0]hept-2-en-6-ol
CID 11116010
tricyclo[4.3.0.02,4]non-7-ene
CID 154516658
(1R,2R,6R,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene
CID 45356248
bicyclo[3.2.1]oct-3-en-6-ol
CID 5314599
(1S,2S,6S,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene
CID 98111802
tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium
CID 173155873
platinum(2+);tricyclo[5.2.1.02,6]deca-3,8-diene;dibromide
CID 23454665
(1S,5R,6S)-N-tert-butylbicyclo[3.2.0]hept-2-en-6-amine
CID 101360713
formaldehyde;tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium
CID 173371153
bicyclo[2.2.1]hepta-2,5-diene;methane;tricyclo[6.2.1.02,7]undeca-4,9-diene
CID 157423842
(1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol
CID 129413222
3-iodocyclobutene
CID 88872191

Frequently Asked Questions

What is the IUPAC name of (1S,5R,6S)-bicyclo[3.2.0]hept-2-en-6-ol?
The IUPAC name of (1S,5R,6S)-bicyclo[3.2.0]hept-2-en-6-ol (CID 12648742) is (1S,5R,6S)-bicyclo[3.2.0]hept-2-en-6-ol.
What is the SMILES notation for (1S,5R,6S)-bicyclo[3.2.0]hept-2-en-6-ol?
The canonical SMILES for (1S,5R,6S)-bicyclo[3.2.0]hept-2-en-6-ol is O[C@H]1C[C@H]2C=CC[C@H]21.
What is the InChIKey of (1S,5R,6S)-bicyclo[3.2.0]hept-2-en-6-ol?
The InChIKey is JIHKXPQKYMHTRG-QYNIQEEDSA-N. The full InChI is InChI=1S/C7H10O/c8-7-4-5-2-1-3-6(5)7/h1-2,5-8H,3-4H2/t5-,6-,7+/m1/s1.
What are the key properties of (1S,5R,6S)-bicyclo[3.2.0]hept-2-en-6-ol?
(1S,5R,6S)-bicyclo[3.2.0]hept-2-en-6-ol has a molecular weight of 110.16 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6S)-bicyclo[3.2.0]hept-2-en-6-ol is sourced from PubChem (CID 12648742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).