2-(1-chloro-2-methylindolizin-3-yl)butan-1-ol

C13H16ClNO — CID 116993805

IUPAC2-(1-chloro-2-methylindolizin-3-yl)butan-1-ol
SMILESCCC(CO)c1c(C)c(Cl)c2ccccn12
InChIInChI=1S/C13H16ClNO/c1-3-10(8-16)13-9(2)12(14)11-6-4-5-7-15(11)13/h4-7,10,16H,3,8H2,1-2H3
InChIKeyCYACAXIEXGBBND-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.39
Rot. Bonds3

About 2-(1-chloro-2-methylindolizin-3-yl)butan-1-ol

2-(1-chloro-2-methylindolizin-3-yl)butan-1-ol (PubChem CID 116993805) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-(1-chloro-2-methylindolizin-3-yl)butan-1-ol.

Molecular Properties

Compound Name2-(1-chloro-2-methylindolizin-3-yl)butan-1-ol
PubChem CID116993805
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name2-(1-chloro-2-methylindolizin-3-yl)butan-1-ol
SMILESCCC(CO)c1c(C)c(Cl)c2ccccn12
InChIInChI=1S/C13H16ClNO/c1-3-10(8-16)13-9(2)12(14)11-6-4-5-7-15(11)13/h4-7,10,16H,3,8H2,1-2H3
InChIKeyCYACAXIEXGBBND-UHFFFAOYSA-N
XLogP3.39
TPSA24.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(1-chloro-2-methylindolizin-3-yl)propanoic acid
CID 116993787
3-(1-chloro-2-methylindolizin-3-yl)propan-1-amine
CID 116993714
2-(1-chloro-2-methylindolizin-3-yl)-N-methylpropan-2-amine
CID 116993755
methyl 3-(1-hydroxybutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylate
CID 116984145
[1-(1-chloro-2-methylindolizin-3-yl)cyclopropyl]methanamine
CID 116993791
1-chloro-2-methyl-3-(piperazin-1-ylmethyl)indolizine
CID 116993762
1-chloro-2-methyl-3-(piperidin-2-ylmethyl)indolizine
CID 116993733
2-(2-chlorophenyl)-4-methylhexan-1-ol
CID 79449327
3-chloro-2-methylindolizine-1-carboxylic acid
CID 174650392
3-[(1,2-dimethylindolizin-3-yl)methyl]-1,2-dimethylindolizine
CID 1214543
[4-[3-(butylamino)propoxy]phenyl]-(2-butyl-1-chloroindolizin-3-yl)methanone
CID 13280849
10-chloro-4-methylpyridazino[4,5-b]indolizine
CID 67920589

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2-methylindolizin-3-yl)butan-1-ol?
The IUPAC name of 2-(1-chloro-2-methylindolizin-3-yl)butan-1-ol (CID 116993805) is 2-(1-chloro-2-methylindolizin-3-yl)butan-1-ol.
What is the SMILES notation for 2-(1-chloro-2-methylindolizin-3-yl)butan-1-ol?
The canonical SMILES for 2-(1-chloro-2-methylindolizin-3-yl)butan-1-ol is CCC(CO)c1c(C)c(Cl)c2ccccn12.
What is the InChIKey of 2-(1-chloro-2-methylindolizin-3-yl)butan-1-ol?
The InChIKey is CYACAXIEXGBBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-3-10(8-16)13-9(2)12(14)11-6-4-5-7-15(11)13/h4-7,10,16H,3,8H2,1-2H3.
What are the key properties of 2-(1-chloro-2-methylindolizin-3-yl)butan-1-ol?
2-(1-chloro-2-methylindolizin-3-yl)butan-1-ol has a molecular weight of 237.73 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2-methylindolizin-3-yl)butan-1-ol is sourced from PubChem (CID 116993805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).