2,3-dihydroxy-3-(1H-indol-7-yl)propanenitrile

C11H10N2O2 — CID 171870401

IUPAC2,3-dihydroxy-3-(1H-indol-7-yl)propanenitrile
SMILESN#CC(O)C(O)c1cccc2cc[nH]c12
InChIInChI=1S/C11H10N2O2/c12-6-9(14)11(15)8-3-1-2-7-4-5-13-10(7)8/h1-5,9,11,13-15H
InChIKeyPIHPYYMFKSZQQW-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.09
Rot. Bonds2

About 2,3-dihydroxy-3-(1H-indol-7-yl)propanenitrile

2,3-dihydroxy-3-(1H-indol-7-yl)propanenitrile (PubChem CID 171870401) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(1H-indol-7-yl)propanenitrile.

Molecular Properties

Compound Name2,3-dihydroxy-3-(1H-indol-7-yl)propanenitrile
PubChem CID171870401
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2,3-dihydroxy-3-(1H-indol-7-yl)propanenitrile
SMILESN#CC(O)C(O)c1cccc2cc[nH]c12
InChIInChI=1S/C11H10N2O2/c12-6-9(14)11(15)8-3-1-2-7-4-5-13-10(7)8/h1-5,9,11,13-15H
InChIKeyPIHPYYMFKSZQQW-UHFFFAOYSA-N
XLogP1.09
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-(1H-indol-7-yl)butane-1,2-diol
CID 171892180
1-(1H-indol-7-yl)-4-sulfanylbutane-1,2-diol
CID 171874263
2-hydroxy-2-(1H-indol-7-yl)acetic acid
CID 82403712
3-(3-bromo-2-methylphenyl)-2,3-dihydroxypropanenitrile
CID 171871303
2,3-dihydroxy-3-(2-iodophenyl)propanenitrile
CID 171871505
2,3-dihydroxy-3-(2-hydroxyphenyl)propanenitrile
CID 171869667
1-(1H-indol-7-yl)ethanamine
CID 68767780
3-(2-bromo-3-hydroxyphenyl)-2,3-dihydroxypropanenitrile
CID 171871540
1-amino-1-(1H-indol-7-yl)propan-2-one
CID 55270531
3-(2-cyano-1,2-dihydroxyethyl)-2-methylbenzoic acid
CID 171870540
2-(1H-indol-7-yl)-3-methylbutanoic acid
CID 82614338
(1S)-1-(1H-indol-7-yl)propan-1-amine
CID 55254624

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(1H-indol-7-yl)propanenitrile?
The IUPAC name of 2,3-dihydroxy-3-(1H-indol-7-yl)propanenitrile (CID 171870401) is 2,3-dihydroxy-3-(1H-indol-7-yl)propanenitrile.
What is the SMILES notation for 2,3-dihydroxy-3-(1H-indol-7-yl)propanenitrile?
The canonical SMILES for 2,3-dihydroxy-3-(1H-indol-7-yl)propanenitrile is N#CC(O)C(O)c1cccc2cc[nH]c12.
What is the InChIKey of 2,3-dihydroxy-3-(1H-indol-7-yl)propanenitrile?
The InChIKey is PIHPYYMFKSZQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c12-6-9(14)11(15)8-3-1-2-7-4-5-13-10(7)8/h1-5,9,11,13-15H.
What are the key properties of 2,3-dihydroxy-3-(1H-indol-7-yl)propanenitrile?
2,3-dihydroxy-3-(1H-indol-7-yl)propanenitrile has a molecular weight of 202.21 g/mol, XLogP of 1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(1H-indol-7-yl)propanenitrile is sourced from PubChem (CID 171870401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).