3-azabicyclo[4.1.0]heptan-6-ylmethanol;hydrochloride

C7H14ClNO — CID 86762676

IUPAC3-azabicyclo[4.1.0]heptan-6-ylmethanol;hydrochloride
SMILESCl.OCC12CCNCC1C2
InChIInChI=1S/C7H13NO.ClH/c9-5-7-1-2-8-4-6(7)3-7;/h6,8-9H,1-5H2;1H
InChIKeyBDGROFCVOVGKHT-UHFFFAOYSA-N
MW163.65 g/mol
LogP0.40
Rot. Bonds1

About 3-azabicyclo[4.1.0]heptan-6-ylmethanol;hydrochloride

3-azabicyclo[4.1.0]heptan-6-ylmethanol;hydrochloride (PubChem CID 86762676) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 3-azabicyclo[4.1.0]heptan-6-ylmethanol;hydrochloride.

Molecular Properties

Compound Name3-azabicyclo[4.1.0]heptan-6-ylmethanol;hydrochloride
PubChem CID86762676
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name3-azabicyclo[4.1.0]heptan-6-ylmethanol;hydrochloride
SMILESCl.OCC12CCNCC1C2
InChIInChI=1S/C7H13NO.ClH/c9-5-7-1-2-8-4-6(7)3-7;/h6,8-9H,1-5H2;1H
InChIKeyBDGROFCVOVGKHT-UHFFFAOYSA-N
XLogP0.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[4.1.0]heptan-6-ylmethanol;hydrochloride?
The IUPAC name of 3-azabicyclo[4.1.0]heptan-6-ylmethanol;hydrochloride (CID 86762676) is 3-azabicyclo[4.1.0]heptan-6-ylmethanol;hydrochloride.
What is the SMILES notation for 3-azabicyclo[4.1.0]heptan-6-ylmethanol;hydrochloride?
The canonical SMILES for 3-azabicyclo[4.1.0]heptan-6-ylmethanol;hydrochloride is Cl.OCC12CCNCC1C2.
What is the InChIKey of 3-azabicyclo[4.1.0]heptan-6-ylmethanol;hydrochloride?
The InChIKey is BDGROFCVOVGKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c9-5-7-1-2-8-4-6(7)3-7;/h6,8-9H,1-5H2;1H.
What are the key properties of 3-azabicyclo[4.1.0]heptan-6-ylmethanol;hydrochloride?
3-azabicyclo[4.1.0]heptan-6-ylmethanol;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[4.1.0]heptan-6-ylmethanol;hydrochloride is sourced from PubChem (CID 86762676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).