3,3-dimethyl-2,5,8,8a-tetrahydro-1H-indolizin-5-ol

C10H17NO — CID 144718326

IUPAC3,3-dimethyl-2,5,8,8a-tetrahydro-1H-indolizin-5-ol
SMILESCC1(C)CCC2CC=CC(O)N21
InChIInChI=1S/C10H17NO/c1-10(2)7-6-8-4-3-5-9(12)11(8)10/h3,5,8-9,12H,4,6-7H2,1-2H3
InChIKeyMSEXUSAYNZIYDT-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.51
Rot. Bonds

About 3,3-dimethyl-2,5,8,8a-tetrahydro-1H-indolizin-5-ol

3,3-dimethyl-2,5,8,8a-tetrahydro-1H-indolizin-5-ol (PubChem CID 144718326) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3,3-dimethyl-2,5,8,8a-tetrahydro-1H-indolizin-5-ol.

Molecular Properties

Compound Name3,3-dimethyl-2,5,8,8a-tetrahydro-1H-indolizin-5-ol
PubChem CID144718326
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3,3-dimethyl-2,5,8,8a-tetrahydro-1H-indolizin-5-ol
SMILESCC1(C)CCC2CC=CC(O)N21
InChIInChI=1S/C10H17NO/c1-10(2)7-6-8-4-3-5-9(12)11(8)10/h3,5,8-9,12H,4,6-7H2,1-2H3
InChIKeyMSEXUSAYNZIYDT-UHFFFAOYSA-N
XLogP1.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(1-ethylpyrrolidin-2-yl)prop-2-en-1-ol
CID 117266009
(Z)-3-(1-propan-2-ylpyrrolidin-2-yl)prop-2-en-1-ol
CID 117266010
(Z)-4-(1-methylpyrrolidin-2-yl)but-2-en-1-ol
CID 117266021
(Z)-4-(1-ethylpyrrolidin-2-yl)but-2-en-1-ol
CID 117266022
(Z)-4-(1-propan-2-ylpyrrolidin-2-yl)but-2-en-1-ol
CID 117266023
4-(1-Methylpyrrolidin-2-yl)but-2-en-1-ol
CID 165628974

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,5,8,8a-tetrahydro-1H-indolizin-5-ol?
The IUPAC name of 3,3-dimethyl-2,5,8,8a-tetrahydro-1H-indolizin-5-ol (CID 144718326) is 3,3-dimethyl-2,5,8,8a-tetrahydro-1H-indolizin-5-ol.
What is the SMILES notation for 3,3-dimethyl-2,5,8,8a-tetrahydro-1H-indolizin-5-ol?
The canonical SMILES for 3,3-dimethyl-2,5,8,8a-tetrahydro-1H-indolizin-5-ol is CC1(C)CCC2CC=CC(O)N21.
What is the InChIKey of 3,3-dimethyl-2,5,8,8a-tetrahydro-1H-indolizin-5-ol?
The InChIKey is MSEXUSAYNZIYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2)7-6-8-4-3-5-9(12)11(8)10/h3,5,8-9,12H,4,6-7H2,1-2H3.
What are the key properties of 3,3-dimethyl-2,5,8,8a-tetrahydro-1H-indolizin-5-ol?
3,3-dimethyl-2,5,8,8a-tetrahydro-1H-indolizin-5-ol has a molecular weight of 167.25 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,5,8,8a-tetrahydro-1H-indolizin-5-ol is sourced from PubChem (CID 144718326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).