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

C9H14O — CID 10887982

IUPAC[(1S,4R)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methanol
SMILESCC1=C(CO)[C@H]2CC[C@@H]1C2
InChIInChI=1S/C9H14O/c1-6-7-2-3-8(4-7)9(6)5-10/h7-8,10H,2-5H2,1H3/t7-,8+/m1/s1
InChIKeyNEJAMIUISNYGHM-SFYZADRCSA-N
MW138.21 g/mol
LogP1.73
Rot. Bonds1

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

[(1S,4R)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methanol (PubChem CID 10887982) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is [(1S,4R)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methanol.

Molecular Properties

Compound Name[(1S,4R)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methanol
PubChem CID10887982
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name[(1S,4R)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methanol
SMILESCC1=C(CO)[C@H]2CC[C@@H]1C2
InChIInChI=1S/C9H14O/c1-6-7-2-3-8(4-7)9(6)5-10/h7-8,10H,2-5H2,1H3/t7-,8+/m1/s1
InChIKeyNEJAMIUISNYGHM-SFYZADRCSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.73
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,4R)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methanol?
The IUPAC name of [(1S,4R)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methanol (CID 10887982) is [(1S,4R)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methanol.
What is the SMILES notation for [(1S,4R)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methanol?
The canonical SMILES for [(1S,4R)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methanol is CC1=C(CO)[C@H]2CC[C@@H]1C2.
What is the InChIKey of [(1S,4R)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methanol?
The InChIKey is NEJAMIUISNYGHM-SFYZADRCSA-N. The full InChI is InChI=1S/C9H14O/c1-6-7-2-3-8(4-7)9(6)5-10/h7-8,10H,2-5H2,1H3/t7-,8+/m1/s1.
What are the key properties of [(1S,4R)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methanol?
[(1S,4R)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methanol has a molecular weight of 138.21 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methanol is sourced from PubChem (CID 10887982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).