[(1S)-5-ethyl-1,3,8-trimethyl-2,5-dihydro-1H-indolizin-3-yl]methanol

C14H23NO — CID 174295842

IUPAC[(1S)-5-ethyl-1,3,8-trimethyl-2,5-dihydro-1H-indolizin-3-yl]methanol
SMILESCCC1C=CC(C)=C2[C@@H](C)CC(C)(CO)N21
InChIInChI=1S/C14H23NO/c1-5-12-7-6-10(2)13-11(3)8-14(4,9-16)15(12)13/h6-7,11-12,16H,5,8-9H2,1-4H3/t11-,12?,14?/m0/s1
InChIKeyTZRANMKKRYWGSY-DCBWTQNWSA-N
MW221.34 g/mol
LogP2.70
Rot. Bonds2

About [(1S)-5-ethyl-1,3,8-trimethyl-2,5-dihydro-1H-indolizin-3-yl]methanol

[(1S)-5-ethyl-1,3,8-trimethyl-2,5-dihydro-1H-indolizin-3-yl]methanol (PubChem CID 174295842) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is [(1S)-5-ethyl-1,3,8-trimethyl-2,5-dihydro-1H-indolizin-3-yl]methanol.

Molecular Properties

Compound Name[(1S)-5-ethyl-1,3,8-trimethyl-2,5-dihydro-1H-indolizin-3-yl]methanol
PubChem CID174295842
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name[(1S)-5-ethyl-1,3,8-trimethyl-2,5-dihydro-1H-indolizin-3-yl]methanol
SMILESCCC1C=CC(C)=C2[C@@H](C)CC(C)(CO)N21
InChIInChI=1S/C14H23NO/c1-5-12-7-6-10(2)13-11(3)8-14(4,9-16)15(12)13/h6-7,11-12,16H,5,8-9H2,1-4H3/t11-,12?,14?/m0/s1
InChIKeyTZRANMKKRYWGSY-DCBWTQNWSA-N
XLogP2.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-5-ethyl-1,3,8-trimethyl-2,5-dihydro-1H-indolizin-3-yl]methanol?
The IUPAC name of [(1S)-5-ethyl-1,3,8-trimethyl-2,5-dihydro-1H-indolizin-3-yl]methanol (CID 174295842) is [(1S)-5-ethyl-1,3,8-trimethyl-2,5-dihydro-1H-indolizin-3-yl]methanol.
What is the SMILES notation for [(1S)-5-ethyl-1,3,8-trimethyl-2,5-dihydro-1H-indolizin-3-yl]methanol?
The canonical SMILES for [(1S)-5-ethyl-1,3,8-trimethyl-2,5-dihydro-1H-indolizin-3-yl]methanol is CCC1C=CC(C)=C2[C@@H](C)CC(C)(CO)N21.
What is the InChIKey of [(1S)-5-ethyl-1,3,8-trimethyl-2,5-dihydro-1H-indolizin-3-yl]methanol?
The InChIKey is TZRANMKKRYWGSY-DCBWTQNWSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-12-7-6-10(2)13-11(3)8-14(4,9-16)15(12)13/h6-7,11-12,16H,5,8-9H2,1-4H3/t11-,12?,14?/m0/s1.
What are the key properties of [(1S)-5-ethyl-1,3,8-trimethyl-2,5-dihydro-1H-indolizin-3-yl]methanol?
[(1S)-5-ethyl-1,3,8-trimethyl-2,5-dihydro-1H-indolizin-3-yl]methanol has a molecular weight of 221.34 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-5-ethyl-1,3,8-trimethyl-2,5-dihydro-1H-indolizin-3-yl]methanol is sourced from PubChem (CID 174295842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).