1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol

C11H21NO — CID 82749699

IUPAC1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol
SMILESCC(O)CN1CCC2CCCCC21
InChIInChI=1S/C11H21NO/c1-9(13)8-12-7-6-10-4-2-3-5-11(10)12/h9-11,13H,2-8H2,1H3
InChIKeyBXPZMCCGRZEWBU-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.63
Rot. Bonds2

About 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol

1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol (PubChem CID 82749699) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol
PubChem CID82749699
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol
SMILESCC(O)CN1CCC2CCCCC21
InChIInChI=1S/C11H21NO/c1-9(13)8-12-7-6-10-4-2-3-5-11(10)12/h9-11,13H,2-8H2,1H3
InChIKeyBXPZMCCGRZEWBU-UHFFFAOYSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol
CID 103934975
1-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-fluoropropan-2-ol
CID 131059675
1-(2,2-dimethoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750043
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylbutan-1-amine
CID 82750739
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N,2-dimethylpropan-1-amine
CID 82749934
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylpropanehydrazide
CID 82752286
1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 524515
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3,3-dimethylbutan-2-amine
CID 82746824
1-cyclopentyl-2-(2-cyclopentylpyrrolidin-1-yl)ethanol
CID 104752736
1-(2-methylbutyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 176943757
(2R)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 129413626
1-(2-cyclopentylpyrrolidin-1-yl)pentan-2-ol
CID 62044329

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol?
The IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol (CID 82749699) is 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol is CC(O)CN1CCC2CCCCC21.
What is the InChIKey of 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol?
The InChIKey is BXPZMCCGRZEWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(13)8-12-7-6-10-4-2-3-5-11(10)12/h9-11,13H,2-8H2,1H3.
What are the key properties of 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol?
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol has a molecular weight of 183.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol is sourced from PubChem (CID 82749699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).