6-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-ol

C9H17NO — CID 58456370

IUPAC6-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-ol
SMILESCC(C)C1(O)CC2CNCC21
InChIInChI=1S/C9H17NO/c1-6(2)9(11)3-7-4-10-5-8(7)9/h6-8,10-11H,3-5H2,1-2H3
InChIKeyNYKOHYIAJCQYRN-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.61
Rot. Bonds1

About 6-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-ol

6-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-ol (PubChem CID 58456370) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 6-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-ol.

Molecular Properties

Compound Name6-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-ol
PubChem CID58456370
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name6-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-ol
SMILESCC(C)C1(O)CC2CNCC21
InChIInChI=1S/C9H17NO/c1-6(2)9(11)3-7-4-10-5-8(7)9/h6-8,10-11H,3-5H2,1-2H3
InChIKeyNYKOHYIAJCQYRN-UHFFFAOYSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[1,3-dioxolane-2,6'-3-azabicyclo[3.2.0]heptane]
CID 71430725
2-propan-2-ylbicyclo[2.2.1]heptan-2-ol
CID 12648920
6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane
CID 130919289
(2S)-1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-2-ol
CID 106933586
8-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane
CID 142386523
5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 50990621
(3aS,4R,7aR)-4-(4-fluorophenyl)-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol
CID 100876188
1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2,3-dimethylbutan-1-one
CID 66244795
propan-2-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
CID 25094471
2-methyl-1-propan-2-ylcyclohexan-1-ol
CID 19833595
(1R,3S,4R)-1,4-dimethyl-3-propan-2-ylcyclopentane-1,3-diol
CID 10583336
cis-(1R,2R)-2-(2-hydroxyethyl)-1-propan-2-ylcyclopropan-1-ol
CID 131020192

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-ol?
The IUPAC name of 6-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-ol (CID 58456370) is 6-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-ol.
What is the SMILES notation for 6-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-ol?
The canonical SMILES for 6-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-ol is CC(C)C1(O)CC2CNCC21.
What is the InChIKey of 6-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-ol?
The InChIKey is NYKOHYIAJCQYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-6(2)9(11)3-7-4-10-5-8(7)9/h6-8,10-11H,3-5H2,1-2H3.
What are the key properties of 6-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-ol?
6-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-ol has a molecular weight of 155.24 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-ol is sourced from PubChem (CID 58456370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).