6-chloro-6,8-dimethyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol

C10H18ClNO — CID 86147985

IUPAC6-chloro-6,8-dimethyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESCC1(Cl)CN2CCCC2C(C)(O)C1
InChIInChI=1S/C10H18ClNO/c1-9(11)6-10(2,13)8-4-3-5-12(8)7-9/h8,13H,3-7H2,1-2H3
InChIKeyBGKLQYPAELDUMK-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.60
Rot. Bonds

About 6-chloro-6,8-dimethyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol

6-chloro-6,8-dimethyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol (PubChem CID 86147985) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 6-chloro-6,8-dimethyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol.

Molecular Properties

Compound Name6-chloro-6,8-dimethyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
PubChem CID86147985
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name6-chloro-6,8-dimethyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESCC1(Cl)CN2CCCC2C(C)(O)C1
InChIInChI=1S/C10H18ClNO/c1-9(11)6-10(2,13)8-4-3-5-12(8)7-9/h8,13H,3-7H2,1-2H3
InChIKeyBGKLQYPAELDUMK-UHFFFAOYSA-N
XLogP1.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2R)-1-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 101409360
1-(2-hydroxy-2-methylcyclopentyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112745969
(6Z,8S,8aS)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 10987517
8a-methyl-2,3,5,5a,6,7,8,8b-octahydro-1H-cyclopenta[a]pyrrolizine
CID 57052585
(6Z)-6-(4-hydroxy-2-methylpentylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 91724243
(7R)-7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol
CID 175622247
7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol
CID 175622179
(1R,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 101202509
(1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 163074803
1-methyl-2-morpholin-4-ylcyclohexan-1-ol;prop-1-ene
CID 143573715
7-methyl-7-propyl-1,2,3,5,6,8-hexahydropyrrolizine
CID 154510933
1-(2-hydroxy-2-methylcyclopentyl)-3-methylpiperidin-4-one
CID 130532303

Frequently Asked Questions

What is the IUPAC name of 6-chloro-6,8-dimethyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The IUPAC name of 6-chloro-6,8-dimethyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol (CID 86147985) is 6-chloro-6,8-dimethyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol.
What is the SMILES notation for 6-chloro-6,8-dimethyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The canonical SMILES for 6-chloro-6,8-dimethyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol is CC1(Cl)CN2CCCC2C(C)(O)C1.
What is the InChIKey of 6-chloro-6,8-dimethyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The InChIKey is BGKLQYPAELDUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-9(11)6-10(2,13)8-4-3-5-12(8)7-9/h8,13H,3-7H2,1-2H3.
What are the key properties of 6-chloro-6,8-dimethyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
6-chloro-6,8-dimethyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol has a molecular weight of 203.71 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-6,8-dimethyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol is sourced from PubChem (CID 86147985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).