2-Amino-1-indolizin-1-ylethanol

C10H12N2O — CID 169203364

IUPAC2-amino-1-indolizin-1-ylethanol
SMILESC1=CC2=C(C=CN2C=C1)C(CN)O
InChIInChI=1S/C10H12N2O/c11-7-10(13)8-4-6-12-5-2-1-3-9(8)12/h1-6,10,13H,7,11H2
InChIKeyVZEAMGIKBDFXBU-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.70
Rot. Bonds2

About 2-Amino-1-indolizin-1-ylethanol

2-Amino-1-indolizin-1-ylethanol (PubChem CID 169203364) has the molecular formula C10H12N2O and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-amino-1-indolizin-1-ylethanol.

Molecular Properties

Compound Name2-Amino-1-indolizin-1-ylethanol
PubChem CID169203364
Molecular FormulaC10H12N2O
Molecular Weight176.21 g/mol
Exact Mass176.09
IUPAC Name2-amino-1-indolizin-1-ylethanol
SMILESC1=CC2=C(C=CN2C=C1)C(CN)O
InChIInChI=1S/C10H12N2O/c11-7-10(13)8-4-6-12-5-2-1-3-9(8)12/h1-6,10,13H,7,11H2
InChIKeyVZEAMGIKBDFXBU-UHFFFAOYSA-N
XLogP0.70
TPSA50.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity174

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Indole-3-Carbinol
CID 3712
N-methoxyindole-3-carbinol
CID 398553
1-(1H-indol-3-yl)-2-(piperidin-1-yl)ethanol
CID 3599332
2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol
CID 4035295
Phenyl(pyridin-2-yl)methanol
CID 315585
1-(1H-indol-3-yl)ethane-1,2-diol
CID 25202910
1-(1-methyl-1H-indol-3-yl)-2-(1-piperidinyl)ethanol
CID 315014
2-[(1-Methyl-1H-pyrrol-2-ylmethyl)-amino]-1-phenyl-ethanol
CID 2997379
(1-Benzyl-1h-indol-3-yl)methanol
CID 402633
[1-(4-methylbenzyl)-1H-indol-3-yl]methanol
CID 900428
2-(1H-indol-1-yl)-1-phenylethanol
CID 11842267
[1-[1-(4-Propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanol
CID 134563650

Frequently Asked Questions

What is the IUPAC name of 2-Amino-1-indolizin-1-ylethanol?
The IUPAC name of 2-Amino-1-indolizin-1-ylethanol (CID 169203364) is 2-amino-1-indolizin-1-ylethanol.
What is the SMILES notation for 2-Amino-1-indolizin-1-ylethanol?
The canonical SMILES for 2-Amino-1-indolizin-1-ylethanol is C1=CC2=C(C=CN2C=C1)C(CN)O.
What is the InChIKey of 2-Amino-1-indolizin-1-ylethanol?
The InChIKey is VZEAMGIKBDFXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-7-10(13)8-4-6-12-5-2-1-3-9(8)12/h1-6,10,13H,7,11H2.
What are the key properties of 2-Amino-1-indolizin-1-ylethanol?
2-Amino-1-indolizin-1-ylethanol has a molecular weight of 176.21 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Amino-1-indolizin-1-ylethanol is sourced from PubChem (CID 169203364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).