(2-methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)methanol

C8H13NO — CID 118940550

IUPAC(2-methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)methanol
SMILESCN1C2C=CC(C2)C1CO
InChIInChI=1S/C8H13NO/c1-9-7-3-2-6(4-7)8(9)5-10/h2-3,6-8,10H,4-5H2,1H3
InChIKeyKBTXOICLGFVPBK-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.24
Rot. Bonds1

About (2-methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)methanol

(2-methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)methanol (PubChem CID 118940550) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (2-methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)methanol.

Molecular Properties

Compound Name(2-methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)methanol
PubChem CID118940550
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(2-methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)methanol
SMILESCN1C2C=CC(C2)C1CO
InChIInChI=1S/C8H13NO/c1-9-7-3-2-6(4-7)8(9)5-10/h2-3,6-8,10H,4-5H2,1H3
InChIKeyKBTXOICLGFVPBK-UHFFFAOYSA-N
XLogP0.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
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 (2-methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)methanol?
The IUPAC name of (2-methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)methanol (CID 118940550) is (2-methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)methanol.
What is the SMILES notation for (2-methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)methanol?
The canonical SMILES for (2-methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)methanol is CN1C2C=CC(C2)C1CO.
What is the InChIKey of (2-methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)methanol?
The InChIKey is KBTXOICLGFVPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-7-3-2-6(4-7)8(9)5-10/h2-3,6-8,10H,4-5H2,1H3.
What are the key properties of (2-methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)methanol?
(2-methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)methanol has a molecular weight of 139.20 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)methanol is sourced from PubChem (CID 118940550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).