1-azabicyclo[3.2.0]heptan-2-ylmethanol

C7H13NO — CID 105427328

IUPAC1-azabicyclo[3.2.0]heptan-2-ylmethanol
SMILESOCC1CCC2CCN12
InChIInChI=1S/C7H13NO/c9-5-7-2-1-6-3-4-8(6)7/h6-7,9H,1-5H2
InChIKeyKKQZUEOKKXOCNH-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.22
Rot. Bonds1

About 1-azabicyclo[3.2.0]heptan-2-ylmethanol

1-azabicyclo[3.2.0]heptan-2-ylmethanol (PubChem CID 105427328) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-azabicyclo[3.2.0]heptan-2-ylmethanol.

Molecular Properties

Compound Name1-azabicyclo[3.2.0]heptan-2-ylmethanol
PubChem CID105427328
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-azabicyclo[3.2.0]heptan-2-ylmethanol
SMILESOCC1CCC2CCN12
InChIInChI=1S/C7H13NO/c9-5-7-2-1-6-3-4-8(6)7/h6-7,9H,1-5H2
InChIKeyKKQZUEOKKXOCNH-UHFFFAOYSA-N
XLogP0.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.2.0]heptan-2-ylmethanol?
The IUPAC name of 1-azabicyclo[3.2.0]heptan-2-ylmethanol (CID 105427328) is 1-azabicyclo[3.2.0]heptan-2-ylmethanol.
What is the SMILES notation for 1-azabicyclo[3.2.0]heptan-2-ylmethanol?
The canonical SMILES for 1-azabicyclo[3.2.0]heptan-2-ylmethanol is OCC1CCC2CCN12.
What is the InChIKey of 1-azabicyclo[3.2.0]heptan-2-ylmethanol?
The InChIKey is KKQZUEOKKXOCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c9-5-7-2-1-6-3-4-8(6)7/h6-7,9H,1-5H2.
What are the key properties of 1-azabicyclo[3.2.0]heptan-2-ylmethanol?
1-azabicyclo[3.2.0]heptan-2-ylmethanol has a molecular weight of 127.19 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.2.0]heptan-2-ylmethanol is sourced from PubChem (CID 105427328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).