2-(3-propan-2-ylpyrrol-1-yl)ethanol

C9H15NO — CID 22947752

IUPAC2-(3-propan-2-ylpyrrol-1-yl)ethanol
SMILESCC(C)c1ccn(CCO)c1
InChIInChI=1S/C9H15NO/c1-8(2)9-3-4-10(7-9)5-6-11/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeyLHBMQFKKQDZTLI-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.60
Rot. Bonds3

About 2-(3-propan-2-ylpyrrol-1-yl)ethanol

2-(3-propan-2-ylpyrrol-1-yl)ethanol (PubChem CID 22947752) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(3-propan-2-ylpyrrol-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-propan-2-ylpyrrol-1-yl)ethanol
PubChem CID22947752
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-(3-propan-2-ylpyrrol-1-yl)ethanol
SMILESCC(C)c1ccn(CCO)c1
InChIInChI=1S/C9H15NO/c1-8(2)9-3-4-10(7-9)5-6-11/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeyLHBMQFKKQDZTLI-UHFFFAOYSA-N
XLogP1.60
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,7-Dihydro-2H-4,7-methanoisoindol-2-yl)ethan-1-ol
CID 3061046
2-(2-Methylpyrrol-1-yl)ethanol
CID 3394837
3-Tert-butyl-1-methylpyrrole
CID 578989
1-Butyl-3-isopropyl-1H-pyrrole
CID 13270985
1H-Pyrrole, 3-ethyl-1-(2-methyl-2-propenyl)-
CID 15529813
2-(3-Methylpyridin-1-ium-1-yl)ethanol
CID 5142487
1-(2-Hydroxyethyl)-2-propyl-3-ethylpyrrole
CID 13270984
3-Ethyl-1-vinyl-1h-pyrrole
CID 15688596
2-(Methyl(pyridin-4-ylmethyl)amino)ethanol
CID 23035512
1-Methyl-3-propyl-1H-pyrrole
CID 23131843
3-(1-Methylpyrrol-3-yl)propanal
CID 57834072
1-(2-Hydroxyethyl)-2-methyl-3-propylpyrrole
CID 124705282

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylpyrrol-1-yl)ethanol?
The IUPAC name of 2-(3-propan-2-ylpyrrol-1-yl)ethanol (CID 22947752) is 2-(3-propan-2-ylpyrrol-1-yl)ethanol.
What is the SMILES notation for 2-(3-propan-2-ylpyrrol-1-yl)ethanol?
The canonical SMILES for 2-(3-propan-2-ylpyrrol-1-yl)ethanol is CC(C)c1ccn(CCO)c1.
What is the InChIKey of 2-(3-propan-2-ylpyrrol-1-yl)ethanol?
The InChIKey is LHBMQFKKQDZTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(2)9-3-4-10(7-9)5-6-11/h3-4,7-8,11H,5-6H2,1-2H3.
What are the key properties of 2-(3-propan-2-ylpyrrol-1-yl)ethanol?
2-(3-propan-2-ylpyrrol-1-yl)ethanol has a molecular weight of 153.22 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylpyrrol-1-yl)ethanol is sourced from PubChem (CID 22947752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).