1-methyl-3-azabicyclo[3.2.0]heptan-6-ol

C7H13NO — CID 21475404

IUPAC1-methyl-3-azabicyclo[3.2.0]heptan-6-ol
SMILESCC12CNCC1C(O)C2
InChIInChI=1S/C7H13NO/c1-7-2-6(9)5(7)3-8-4-7/h5-6,8-9H,2-4H2,1H3
InChIKeyLLSFZQCSLJBIDK-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.02
Rot. Bonds

About 1-methyl-3-azabicyclo[3.2.0]heptan-6-ol

1-methyl-3-azabicyclo[3.2.0]heptan-6-ol (PubChem CID 21475404) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-methyl-3-azabicyclo[3.2.0]heptan-6-ol.

Molecular Properties

Compound Name1-methyl-3-azabicyclo[3.2.0]heptan-6-ol
PubChem CID21475404
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-methyl-3-azabicyclo[3.2.0]heptan-6-ol
SMILESCC12CNCC1C(O)C2
InChIInChI=1S/C7H13NO/c1-7-2-6(9)5(7)3-8-4-7/h5-6,8-9H,2-4H2,1H3
InChIKeyLLSFZQCSLJBIDK-UHFFFAOYSA-N
XLogP-0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Azabicyclo(3.2.0)heptan-6-ol
CID 21475391
6-Azaspiro(3.4)octan-2-ol hydrochloride
CID 122622398
rac-[(1R,5R,6S)-3-azabicyclo[3.2.0]heptan-6-yl]methanol hydrochloride
CID 136589502
6-Azaspiro(3.4)octan-1-ol hydrochloride
CID 138106352
6-Azaspiro[3.4]octan-2-ol
CID 122458917
6-Azaspiro[3.4]octan-1-ol
CID 122458919
7-Fluoro-3-azabicyclo[3.2.0]heptan-6-ol
CID 139417371
(6-Fluoro-3-azabicyclo[3.2.0]heptan-6-yl)methanol
CID 171704055
(1R,5S,6S)-1-methyl-3-azabicyclo[3.2.0]heptan-6-ol
CID 22879466
(1R,5S,6S)-3-azabicyclo[3.2.0]heptan-6-ol
CID 22879470
(6R)-3-azabicyclo[3.2.0]heptan-6-ol
CID 55300848
(1S,5R,6R)-3-azabicyclo[3.2.0]heptan-6-ol
CID 59295128

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-azabicyclo[3.2.0]heptan-6-ol?
The IUPAC name of 1-methyl-3-azabicyclo[3.2.0]heptan-6-ol (CID 21475404) is 1-methyl-3-azabicyclo[3.2.0]heptan-6-ol.
What is the SMILES notation for 1-methyl-3-azabicyclo[3.2.0]heptan-6-ol?
The canonical SMILES for 1-methyl-3-azabicyclo[3.2.0]heptan-6-ol is CC12CNCC1C(O)C2.
What is the InChIKey of 1-methyl-3-azabicyclo[3.2.0]heptan-6-ol?
The InChIKey is LLSFZQCSLJBIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-7-2-6(9)5(7)3-8-4-7/h5-6,8-9H,2-4H2,1H3.
What are the key properties of 1-methyl-3-azabicyclo[3.2.0]heptan-6-ol?
1-methyl-3-azabicyclo[3.2.0]heptan-6-ol has a molecular weight of 127.19 g/mol, XLogP of -0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-azabicyclo[3.2.0]heptan-6-ol is sourced from PubChem (CID 21475404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).