[(1S,2R,4R)-3-methylidene-2-bicyclo[2.2.1]hept-5-enyl]methanol

C9H12O — CID 13005438

IUPAC[(1S,2R,4R)-3-methylidene-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESC=C1[C@H]2C=C[C@H](C2)[C@H]1CO
InChIInChI=1S/C9H12O/c1-6-7-2-3-8(4-7)9(6)5-10/h2-3,7-10H,1,4-5H2/t7-,8+,9-/m0/s1
InChIKeyLNDMEEOXNWMSNZ-YIZRAAEISA-N
MW136.19 g/mol
LogP1.36
Rot. Bonds1

About [(1S,2R,4R)-3-methylidene-2-bicyclo[2.2.1]hept-5-enyl]methanol

[(1S,2R,4R)-3-methylidene-2-bicyclo[2.2.1]hept-5-enyl]methanol (PubChem CID 13005438) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is [(1S,2R,4R)-3-methylidene-2-bicyclo[2.2.1]hept-5-enyl]methanol.

Molecular Properties

Compound Name[(1S,2R,4R)-3-methylidene-2-bicyclo[2.2.1]hept-5-enyl]methanol
PubChem CID13005438
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name[(1S,2R,4R)-3-methylidene-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESC=C1[C@H]2C=C[C@H](C2)[C@H]1CO
InChIInChI=1S/C9H12O/c1-6-7-2-3-8(4-7)9(6)5-10/h2-3,7-10H,1,4-5H2/t7-,8+,9-/m0/s1
InChIKeyLNDMEEOXNWMSNZ-YIZRAAEISA-N
XLogP1.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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,2R,4R)-3-methylidene-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The IUPAC name of [(1S,2R,4R)-3-methylidene-2-bicyclo[2.2.1]hept-5-enyl]methanol (CID 13005438) is [(1S,2R,4R)-3-methylidene-2-bicyclo[2.2.1]hept-5-enyl]methanol.
What is the SMILES notation for [(1S,2R,4R)-3-methylidene-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The canonical SMILES for [(1S,2R,4R)-3-methylidene-2-bicyclo[2.2.1]hept-5-enyl]methanol is C=C1[C@H]2C=C[C@H](C2)[C@H]1CO.
What is the InChIKey of [(1S,2R,4R)-3-methylidene-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The InChIKey is LNDMEEOXNWMSNZ-YIZRAAEISA-N. The full InChI is InChI=1S/C9H12O/c1-6-7-2-3-8(4-7)9(6)5-10/h2-3,7-10H,1,4-5H2/t7-,8+,9-/m0/s1.
What are the key properties of [(1S,2R,4R)-3-methylidene-2-bicyclo[2.2.1]hept-5-enyl]methanol?
[(1S,2R,4R)-3-methylidene-2-bicyclo[2.2.1]hept-5-enyl]methanol has a molecular weight of 136.19 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4R)-3-methylidene-2-bicyclo[2.2.1]hept-5-enyl]methanol is sourced from PubChem (CID 13005438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).