(6Z)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol

C13H23NO — CID 14863816

IUPAC(6Z)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESCC(C)/C=C1\CN2CCCC2C(C)(O)C1
InChIInChI=1S/C13H23NO/c1-10(2)7-11-8-13(3,15)12-5-4-6-14(12)9-11/h7,10,12,15H,4-6,8-9H2,1-3H3/b11-7-
InChIKeyXAXHWNNCXDDRBC-XFFZJAGNSA-N
MW209.33 g/mol
LogP2.19
Rot. Bonds1

About (6Z)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol

(6Z)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol (PubChem CID 14863816) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (6Z)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol.

Molecular Properties

Compound Name(6Z)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol
PubChem CID14863816
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(6Z)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESCC(C)/C=C1\CN2CCCC2C(C)(O)C1
InChIInChI=1S/C13H23NO/c1-10(2)7-11-8-13(3,15)12-5-4-6-14(12)9-11/h7,10,12,15H,4-6,8-9H2,1-3H3/b11-7-
InChIKeyXAXHWNNCXDDRBC-XFFZJAGNSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The IUPAC name of (6Z)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol (CID 14863816) is (6Z)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol.
What is the SMILES notation for (6Z)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The canonical SMILES for (6Z)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol is CC(C)/C=C1\CN2CCCC2C(C)(O)C1.
What is the InChIKey of (6Z)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The InChIKey is XAXHWNNCXDDRBC-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)7-11-8-13(3,15)12-5-4-6-14(12)9-11/h7,10,12,15H,4-6,8-9H2,1-3H3/b11-7-.
What are the key properties of (6Z)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
(6Z)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol has a molecular weight of 209.33 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-8-methyl-6-(2-methylpropylidene)-1,2,3,5,7,8a-hexahydroindolizin-8-ol is sourced from PubChem (CID 14863816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).