(1R,2S,4R,7R)-bicyclo[2.2.1]hept-5-ene-2,7-diol

C7H10O2 — CID 131089287

IUPAC(1R,2S,4R,7R)-bicyclo[2.2.1]hept-5-ene-2,7-diol
SMILESO[C@H]1[C@@H]2C=C[C@H]1C[C@@H]2O
InChIInChI=1S/C7H10O2/c8-6-3-4-1-2-5(6)7(4)9/h1-2,4-9H,3H2/t4-,5+,6-,7+/m0/s1
InChIKeyAUTSEJSAHVUKLO-BNHYGAARSA-N
MW126.15 g/mol
LogP-0.09
Rot. Bonds

About (1R,2S,4R,7R)-bicyclo[2.2.1]hept-5-ene-2,7-diol

(1R,2S,4R,7R)-bicyclo[2.2.1]hept-5-ene-2,7-diol (PubChem CID 131089287) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (1R,2S,4R,7R)-bicyclo[2.2.1]hept-5-ene-2,7-diol.

Molecular Properties

Compound Name(1R,2S,4R,7R)-bicyclo[2.2.1]hept-5-ene-2,7-diol
PubChem CID131089287
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(1R,2S,4R,7R)-bicyclo[2.2.1]hept-5-ene-2,7-diol
SMILESO[C@H]1[C@@H]2C=C[C@H]1C[C@@H]2O
InChIInChI=1S/C7H10O2/c8-6-3-4-1-2-5(6)7(4)9/h1-2,4-9H,3H2/t4-,5+,6-,7+/m0/s1
InChIKeyAUTSEJSAHVUKLO-BNHYGAARSA-N
XLogP-0.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butylbicyclo[2.2.1]hept-2-en-7-ol
CID 155012044
1,2,4a,5,6,8a-hexahydronaphthalene-2,6-diol
CID 130125975
(1R,2S,5R,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626620
(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626622
7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-ol
CID 130145119
(2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol
CID 95565725
5-(cyclopentyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol
CID 155012146
5-(cyclohexyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol
CID 155012076
5-(3-methylphenyl)bicyclo[2.2.1]hept-2-en-7-ol
CID 155012096
5-naphthalen-1-ylbicyclo[2.2.1]hept-2-en-7-ol
CID 155012089
pentyl 7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 155012007
N-butyl-N-ethyl-7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 155012024

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,7R)-bicyclo[2.2.1]hept-5-ene-2,7-diol?
The IUPAC name of (1R,2S,4R,7R)-bicyclo[2.2.1]hept-5-ene-2,7-diol (CID 131089287) is (1R,2S,4R,7R)-bicyclo[2.2.1]hept-5-ene-2,7-diol.
What is the SMILES notation for (1R,2S,4R,7R)-bicyclo[2.2.1]hept-5-ene-2,7-diol?
The canonical SMILES for (1R,2S,4R,7R)-bicyclo[2.2.1]hept-5-ene-2,7-diol is O[C@H]1[C@@H]2C=C[C@H]1C[C@@H]2O.
What is the InChIKey of (1R,2S,4R,7R)-bicyclo[2.2.1]hept-5-ene-2,7-diol?
The InChIKey is AUTSEJSAHVUKLO-BNHYGAARSA-N. The full InChI is InChI=1S/C7H10O2/c8-6-3-4-1-2-5(6)7(4)9/h1-2,4-9H,3H2/t4-,5+,6-,7+/m0/s1.
What are the key properties of (1R,2S,4R,7R)-bicyclo[2.2.1]hept-5-ene-2,7-diol?
(1R,2S,4R,7R)-bicyclo[2.2.1]hept-5-ene-2,7-diol has a molecular weight of 126.15 g/mol, XLogP of -0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,7R)-bicyclo[2.2.1]hept-5-ene-2,7-diol is sourced from PubChem (CID 131089287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).