[(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol

C7H13NO — CID 136589503

IUPAC[(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol
SMILESOC[C@@H]1C[C@@H]2CNC[C@H]12
InChIInChI=1S/C7H13NO/c9-4-6-1-5-2-8-3-7(5)6/h5-9H,1-4H2/t5-,6+,7+/m1/s1
InChIKeyBINFFXLFEOUHQZ-VQVTYTSYSA-N
MW127.19 g/mol
LogP-0.17
Rot. Bonds1

About [(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol

[(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol (PubChem CID 136589503) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is [(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol.

Molecular Properties

Compound Name[(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol
PubChem CID136589503
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name[(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol
SMILESOC[C@@H]1C[C@@H]2CNC[C@H]12
InChIInChI=1S/C7H13NO/c9-4-6-1-5-2-8-3-7(5)6/h5-9H,1-4H2/t5-,6+,7+/m1/s1
InChIKeyBINFFXLFEOUHQZ-VQVTYTSYSA-N
XLogP-0.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S,4S)-4-cyclopropylpyrrolidin-3-yl]methanol
CID 129408049
(3aR,4S,5R,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol
CID 124520340
[(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol
CID 130977937
[(4S)-4-[(phosphanylamino)methyl]pyrrolidin-3-yl]methanol
CID 143159584
[(3S,4S)-4-aminopyrrolidin-3-yl]methanol
CID 10866309
3-azabicyclo[4.1.0]heptan-5-ylmethanamine;dihydrochloride
CID 155896224
(2R,6S,8S)-4-azatricyclo[4.4.0.02,8]decane
CID 55288326
(4-methylpyrrolidin-3-yl)methanol
CID 23396990
(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
CID 121229170
[(3S,4S)-4-methylpyrrolidin-3-yl]methanol
CID 157146152
[(3aR,4R,7aR)-2,3,3a,4,5,7a-hexahydro-1H-isoindol-4-yl]methanol
CID 54133952
[(2S)-2-(hydroxymethyl)cyclopropyl]methanol
CID 67842260

Frequently Asked Questions

What is the IUPAC name of [(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol?
The IUPAC name of [(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol (CID 136589503) is [(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol.
What is the SMILES notation for [(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol?
The canonical SMILES for [(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol is OC[C@@H]1C[C@@H]2CNC[C@H]12.
What is the InChIKey of [(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol?
The InChIKey is BINFFXLFEOUHQZ-VQVTYTSYSA-N. The full InChI is InChI=1S/C7H13NO/c9-4-6-1-5-2-8-3-7(5)6/h5-9H,1-4H2/t5-,6+,7+/m1/s1.
What are the key properties of [(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol?
[(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol has a molecular weight of 127.19 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol is sourced from PubChem (CID 136589503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).