1-[2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]ethyl]cyclopropan-1-ol

C11H19NO — CID 131177109

IUPAC1-[2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]ethyl]cyclopropan-1-ol
SMILESOC1(CCN2CCC[C@@H]3C[C@@H]32)CC1
InChIInChI=1S/C11H19NO/c13-11(3-4-11)5-7-12-6-1-2-9-8-10(9)12/h9-10,13H,1-8H2/t9-,10+/m1/s1
InChIKeyBMFGHGAPXBELKC-ZJUUUORDSA-N
MW181.28 g/mol
LogP1.39
Rot. Bonds3

About 1-[2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]ethyl]cyclopropan-1-ol

1-[2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]ethyl]cyclopropan-1-ol (PubChem CID 131177109) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-[2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]ethyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]ethyl]cyclopropan-1-ol
PubChem CID131177109
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-[2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]ethyl]cyclopropan-1-ol
SMILESOC1(CCN2CCC[C@@H]3C[C@@H]32)CC1
InChIInChI=1S/C11H19NO/c13-11(3-4-11)5-7-12-6-1-2-9-8-10(9)12/h9-10,13H,1-8H2/t9-,10+/m1/s1
InChIKeyBMFGHGAPXBELKC-ZJUUUORDSA-N
XLogP1.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]ethyl]cyclopropan-1-ol with MolForge

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Related Compounds

(1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane
CID 130645060
2-(3,3,3-trifluoropropyl)-2-azabicyclo[4.1.0]heptane
CID 130608809
1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutan-1-amine
CID 79842524
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclopentan-1-amine
CID 65320299
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclohexan-1-amine
CID 65319820
(1S,6R)-2-(2-bromoprop-2-enyl)-2-azabicyclo[4.1.0]heptane
CID 131207018
[1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutyl]methanamine
CID 81170586
(1S,6R)-2-prop-2-ynyl-2-azabicyclo[4.1.0]heptane
CID 130991319
2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]acetonitrile
CID 131084599
(4aS,7S,8aS)-1-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-7-ol
CID 22828499
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-1-ol
CID 65319985
1-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopropan-1-ol
CID 126995531

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]ethyl]cyclopropan-1-ol?
The IUPAC name of 1-[2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]ethyl]cyclopropan-1-ol (CID 131177109) is 1-[2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]ethyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]ethyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]ethyl]cyclopropan-1-ol is OC1(CCN2CCC[C@@H]3C[C@@H]32)CC1.
What is the InChIKey of 1-[2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]ethyl]cyclopropan-1-ol?
The InChIKey is BMFGHGAPXBELKC-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H19NO/c13-11(3-4-11)5-7-12-6-1-2-9-8-10(9)12/h9-10,13H,1-8H2/t9-,10+/m1/s1.
What are the key properties of 1-[2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]ethyl]cyclopropan-1-ol?
1-[2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]ethyl]cyclopropan-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]ethyl]cyclopropan-1-ol is sourced from PubChem (CID 131177109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).