2,3-dihydroxy-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile

C15H16N2O2 — CID 171871224

IUPAC2,3-dihydroxy-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile
SMILESN#CC(O)C(O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C15H16N2O2/c16-8-14(18)15(19)9-5-6-13-11(7-9)10-3-1-2-4-12(10)17-13/h5-7,14-15,17-19H,1-4H2
InChIKeyGVWATGSZEJZRFC-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.96
Rot. Bonds2

About 2,3-dihydroxy-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile

2,3-dihydroxy-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile (PubChem CID 171871224) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile.

Molecular Properties

Compound Name2,3-dihydroxy-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile
PubChem CID171871224
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2,3-dihydroxy-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile
SMILESN#CC(O)C(O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C15H16N2O2/c16-8-14(18)15(19)9-5-6-13-11(7-9)10-3-1-2-4-12(10)17-13/h5-7,14-15,17-19H,1-4H2
InChIKeyGVWATGSZEJZRFC-UHFFFAOYSA-N
XLogP1.96
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxy-3-(8-oxo-5,6,7,9-tetrahydrocarbazol-3-yl)propanenitrile
CID 171871257
S-[2,3-dihydroxy-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propyl] ethanethioate
CID 170822928
3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2,3-dihydroxypropanenitrile
CID 171871070
2-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid
CID 117330639
(2R)-2-(3,4-difluorobenzoyl)-3-oxo-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile
CID 98472758
3-oxo-2-(pyrrolidine-1-carbonyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile
CID 75404024
6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine
CID 3156790
2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid
CID 117359601
[1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclobutyl]methanol
CID 116996604
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 4770206
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932
4-amino-4-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)butanoic acid
CID 117399428

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile?
The IUPAC name of 2,3-dihydroxy-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile (CID 171871224) is 2,3-dihydroxy-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile.
What is the SMILES notation for 2,3-dihydroxy-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile?
The canonical SMILES for 2,3-dihydroxy-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile is N#CC(O)C(O)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of 2,3-dihydroxy-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile?
The InChIKey is GVWATGSZEJZRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-8-14(18)15(19)9-5-6-13-11(7-9)10-3-1-2-4-12(10)17-13/h5-7,14-15,17-19H,1-4H2.
What are the key properties of 2,3-dihydroxy-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile?
2,3-dihydroxy-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile has a molecular weight of 256.31 g/mol, XLogP of 1.96, 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-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile is sourced from PubChem (CID 171871224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).