1-[5-butyl-8-(2-hydroxyethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]ethanone

C16H29NO2 — CID 134853000

IUPAC1-[5-butyl-8-(2-hydroxyethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]ethanone
SMILESCCCCC1CCC(CCO)C2(C(C)=O)CCCN12
InChIInChI=1S/C16H29NO2/c1-3-4-6-15-8-7-14(9-12-18)16(13(2)19)10-5-11-17(15)16/h14-15,18H,3-12H2,1-2H3
InChIKeyIWLSROJORDSBPQ-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.76
Rot. Bonds6

About 1-[5-butyl-8-(2-hydroxyethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]ethanone

1-[5-butyl-8-(2-hydroxyethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]ethanone (PubChem CID 134853000) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-[5-butyl-8-(2-hydroxyethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]ethanone.

Molecular Properties

Compound Name1-[5-butyl-8-(2-hydroxyethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]ethanone
PubChem CID134853000
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-[5-butyl-8-(2-hydroxyethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]ethanone
SMILESCCCCC1CCC(CCO)C2(C(C)=O)CCCN12
InChIInChI=1S/C16H29NO2/c1-3-4-6-15-8-7-14(9-12-18)16(13(2)19)10-5-11-17(15)16/h14-15,18H,3-12H2,1-2H3
InChIKeyIWLSROJORDSBPQ-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-butyl-8-(2-hydroxyethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]ethanone with MolForge

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Related Compounds

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CID 117028513
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2-(1-octylpiperidin-2-yl)ethanol
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1-(2-butyl-5-methylpiperidin-1-yl)ethanone
CID 91136456
2-butyl-1-dodecylpyrrolidine;methanesulfonic acid
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[(3S)-5-butyl-2,3,5,6,7,7a,8,9,10,11-decahydro-1H-pyrrolo[2,1-j]quinolin-3-yl]methanol
CID 134853256
1-(3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)propan-1-one
CID 85299700
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]hexan-1-one
CID 62480098
2-butyl-1-hexylpiperidine
CID 171569565
2-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanol;ethane
CID 142091721
2-[(2R,6S)-1-(2-hydroxyethyl)-6-pentylpiperidin-2-yl]acetic acid
CID 10658819
1-(1-octylpiperidin-2-yl)propan-2-one
CID 79537819

Frequently Asked Questions

What is the IUPAC name of 1-[5-butyl-8-(2-hydroxyethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]ethanone?
The IUPAC name of 1-[5-butyl-8-(2-hydroxyethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]ethanone (CID 134853000) is 1-[5-butyl-8-(2-hydroxyethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]ethanone.
What is the SMILES notation for 1-[5-butyl-8-(2-hydroxyethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]ethanone?
The canonical SMILES for 1-[5-butyl-8-(2-hydroxyethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]ethanone is CCCCC1CCC(CCO)C2(C(C)=O)CCCN12.
What is the InChIKey of 1-[5-butyl-8-(2-hydroxyethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]ethanone?
The InChIKey is IWLSROJORDSBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-4-6-15-8-7-14(9-12-18)16(13(2)19)10-5-11-17(15)16/h14-15,18H,3-12H2,1-2H3.
What are the key properties of 1-[5-butyl-8-(2-hydroxyethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]ethanone?
1-[5-butyl-8-(2-hydroxyethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]ethanone has a molecular weight of 267.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-butyl-8-(2-hydroxyethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]ethanone is sourced from PubChem (CID 134853000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).