3-amino-1-(1H-indol-5-yl)-2,3-dihydroinden-1-ol

C17H16N2O — CID 107089694

IUPAC3-amino-1-(1H-indol-5-yl)-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(c2ccc3[nH]ccc3c2)c2ccccc21
InChIInChI=1S/C17H16N2O/c18-15-10-17(20,14-4-2-1-3-13(14)15)12-5-6-16-11(9-12)7-8-19-16/h1-9,15,19-20H,10,18H2
InChIKeyLSMVFPOHRBADJZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.81
Rot. Bonds1

About 3-amino-1-(1H-indol-5-yl)-2,3-dihydroinden-1-ol

3-amino-1-(1H-indol-5-yl)-2,3-dihydroinden-1-ol (PubChem CID 107089694) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-amino-1-(1H-indol-5-yl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-(1H-indol-5-yl)-2,3-dihydroinden-1-ol
PubChem CID107089694
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-amino-1-(1H-indol-5-yl)-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(c2ccc3[nH]ccc3c2)c2ccccc21
InChIInChI=1S/C17H16N2O/c18-15-10-17(20,14-4-2-1-3-13(14)15)12-5-6-16-11(9-12)7-8-19-16/h1-9,15,19-20H,10,18H2
InChIKeyLSMVFPOHRBADJZ-UHFFFAOYSA-N
XLogP2.81
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-fluoro-4-methylphenyl)-2,3-dihydroinden-1-ol
CID 107128224
2-(1H-indol-5-yl)-1,3-dihydroinden-2-ol
CID 81444157
4-ethyl-1-(1H-indol-5-yl)cyclohexan-1-ol
CID 81445074
3-amino-1-(2,6-difluoro-3-methylphenyl)-2,3-dihydroinden-1-ol
CID 107089749
3-(1H-indol-5-yl)piperidin-3-ol
CID 81444057
4-(1H-indol-5-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365765
6-bromo-2-(1H-indol-5-yl)-3,4-dihydro-1H-naphthalen-2-ol
CID 81436882
4-(1H-indol-5-yl)-2-propyloxan-4-ol
CID 81445173
bis(1H-indole);pyrrole-2,5-dione
CID 160942395
CID 58930948
CID 58930948
1H-indole;dihydrochloride
CID 18796541
3-amino-1-(4,4-dimethylpentyl)-2,3-dihydroinden-1-ol
CID 114209780

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1H-indol-5-yl)-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-(1H-indol-5-yl)-2,3-dihydroinden-1-ol (CID 107089694) is 3-amino-1-(1H-indol-5-yl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-(1H-indol-5-yl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-(1H-indol-5-yl)-2,3-dihydroinden-1-ol is NC1CC(O)(c2ccc3[nH]ccc3c2)c2ccccc21.
What is the InChIKey of 3-amino-1-(1H-indol-5-yl)-2,3-dihydroinden-1-ol?
The InChIKey is LSMVFPOHRBADJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c18-15-10-17(20,14-4-2-1-3-13(14)15)12-5-6-16-11(9-12)7-8-19-16/h1-9,15,19-20H,10,18H2.
What are the key properties of 3-amino-1-(1H-indol-5-yl)-2,3-dihydroinden-1-ol?
3-amino-1-(1H-indol-5-yl)-2,3-dihydroinden-1-ol has a molecular weight of 264.33 g/mol, XLogP of 2.81, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1H-indol-5-yl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107089694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).