1-azabicyclo[3.1.0]hexan-3-ol

C5H9NO — CID 178124587

IUPAC1-azabicyclo[3.1.0]hexan-3-ol
SMILESOC1CC2CN2C1
InChIInChI=1S/C5H9NO/c7-5-1-4-2-6(4)3-5/h4-5,7H,1-3H2
InChIKeyHTXCEDULFKXYSR-UHFFFAOYSA-N
MW99.13 g/mol
LogP-0.56
Rot. Bonds

About 1-azabicyclo[3.1.0]hexan-3-ol

1-azabicyclo[3.1.0]hexan-3-ol (PubChem CID 178124587) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 1-azabicyclo[3.1.0]hexan-3-ol.

Molecular Properties

Compound Name1-azabicyclo[3.1.0]hexan-3-ol
PubChem CID178124587
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name1-azabicyclo[3.1.0]hexan-3-ol
SMILESOC1CC2CN2C1
InChIInChI=1S/C5H9NO/c7-5-1-4-2-6(4)3-5/h4-5,7H,1-3H2
InChIKeyHTXCEDULFKXYSR-UHFFFAOYSA-N
XLogP-0.56
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 167155883
(8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 138720188
1-cyclopentylazetidin-3-ol
CID 56828199
(8R,9aS)-8-hydroxy-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxylic acid
CID 90217851
3-(3-propan-2-ylazetidin-1-yl)cyclobutan-1-ol
CID 104550257
(3S,5R)-1-(azetidin-3-yl)-5-methylpiperidin-3-ol
CID 130802727
(3R,7R,8aR)-3-(2-hydroxyethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol
CID 95735324
(3S,7R,8aS)-3-[(1S)-1-hydroxyethyl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol
CID 54775558
1-(3-hydroxycyclobutyl)piperidin-4-ol
CID 67281324
2,3,4,5,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a][1,4]diazepine-3,8-diol
CID 123860394
(8R,9aS)-2,3,4,5,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a][1,4]diazepin-8-ol
CID 131022422

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.1.0]hexan-3-ol?
The IUPAC name of 1-azabicyclo[3.1.0]hexan-3-ol (CID 178124587) is 1-azabicyclo[3.1.0]hexan-3-ol.
What is the SMILES notation for 1-azabicyclo[3.1.0]hexan-3-ol?
The canonical SMILES for 1-azabicyclo[3.1.0]hexan-3-ol is OC1CC2CN2C1.
What is the InChIKey of 1-azabicyclo[3.1.0]hexan-3-ol?
The InChIKey is HTXCEDULFKXYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c7-5-1-4-2-6(4)3-5/h4-5,7H,1-3H2.
What are the key properties of 1-azabicyclo[3.1.0]hexan-3-ol?
1-azabicyclo[3.1.0]hexan-3-ol has a molecular weight of 99.13 g/mol, XLogP of -0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.1.0]hexan-3-ol is sourced from PubChem (CID 178124587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).