(1R,4R,5R,7R)-5-(hydroxymethyl)-7-prop-2-enylbicyclo[2.2.1]hept-2-en-7-ol

C11H16O2 — CID 71476228

IUPAC(1R,4R,5R,7R)-5-(hydroxymethyl)-7-prop-2-enylbicyclo[2.2.1]hept-2-en-7-ol
SMILESC=CC[C@]1(O)[C@@H]2C=C[C@H]1C[C@H]2CO
InChIInChI=1S/C11H16O2/c1-2-5-11(13)9-3-4-10(11)8(6-9)7-12/h2-4,8-10,12-13H,1,5-7H2/t8-,9-,10+,11+/m0/s1
InChIKeyUEXIEHUMHWCWAX-UKKRHICBSA-N
MW180.25 g/mol
LogP1.11
Rot. Bonds3

About (1R,4R,5R,7R)-5-(hydroxymethyl)-7-prop-2-enylbicyclo[2.2.1]hept-2-en-7-ol

(1R,4R,5R,7R)-5-(hydroxymethyl)-7-prop-2-enylbicyclo[2.2.1]hept-2-en-7-ol (PubChem CID 71476228) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (1R,4R,5R,7R)-5-(hydroxymethyl)-7-prop-2-enylbicyclo[2.2.1]hept-2-en-7-ol.

Molecular Properties

Compound Name(1R,4R,5R,7R)-5-(hydroxymethyl)-7-prop-2-enylbicyclo[2.2.1]hept-2-en-7-ol
PubChem CID71476228
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(1R,4R,5R,7R)-5-(hydroxymethyl)-7-prop-2-enylbicyclo[2.2.1]hept-2-en-7-ol
SMILESC=CC[C@]1(O)[C@@H]2C=C[C@H]1C[C@H]2CO
InChIInChI=1S/C11H16O2/c1-2-5-11(13)9-3-4-10(11)8(6-9)7-12/h2-4,8-10,12-13H,1,5-7H2/t8-,9-,10+,11+/m0/s1
InChIKeyUEXIEHUMHWCWAX-UKKRHICBSA-N
XLogP1.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,4R,5R,7R)-5-(hydroxymethyl)-7-prop-2-enylbicyclo[2.2.1]hept-2-en-7-ol?
The IUPAC name of (1R,4R,5R,7R)-5-(hydroxymethyl)-7-prop-2-enylbicyclo[2.2.1]hept-2-en-7-ol (CID 71476228) is (1R,4R,5R,7R)-5-(hydroxymethyl)-7-prop-2-enylbicyclo[2.2.1]hept-2-en-7-ol.
What is the SMILES notation for (1R,4R,5R,7R)-5-(hydroxymethyl)-7-prop-2-enylbicyclo[2.2.1]hept-2-en-7-ol?
The canonical SMILES for (1R,4R,5R,7R)-5-(hydroxymethyl)-7-prop-2-enylbicyclo[2.2.1]hept-2-en-7-ol is C=CC[C@]1(O)[C@@H]2C=C[C@H]1C[C@H]2CO.
What is the InChIKey of (1R,4R,5R,7R)-5-(hydroxymethyl)-7-prop-2-enylbicyclo[2.2.1]hept-2-en-7-ol?
The InChIKey is UEXIEHUMHWCWAX-UKKRHICBSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-5-11(13)9-3-4-10(11)8(6-9)7-12/h2-4,8-10,12-13H,1,5-7H2/t8-,9-,10+,11+/m0/s1.
What are the key properties of (1R,4R,5R,7R)-5-(hydroxymethyl)-7-prop-2-enylbicyclo[2.2.1]hept-2-en-7-ol?
(1R,4R,5R,7R)-5-(hydroxymethyl)-7-prop-2-enylbicyclo[2.2.1]hept-2-en-7-ol has a molecular weight of 180.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R,7R)-5-(hydroxymethyl)-7-prop-2-enylbicyclo[2.2.1]hept-2-en-7-ol is sourced from PubChem (CID 71476228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).