(3S)-1-acetyl-3-amino-2,3-dihydroindole-6-carbonitrile

C11H11N3O — CID 58686692

IUPAC(3S)-1-acetyl-3-amino-2,3-dihydroindole-6-carbonitrile
SMILESCC(=O)N1C[C@@H](N)c2ccc(C#N)cc21
InChIInChI=1S/C11H11N3O/c1-7(15)14-6-10(13)9-3-2-8(5-12)4-11(9)14/h2-4,10H,6,13H2,1H3/t10-/m1/s1
InChIKeyLZYVPOVSAZNCQA-SNVBAGLBSA-N
MW201.23 g/mol
LogP0.92
Rot. Bonds

About (3S)-1-acetyl-3-amino-2,3-dihydroindole-6-carbonitrile

(3S)-1-acetyl-3-amino-2,3-dihydroindole-6-carbonitrile (PubChem CID 58686692) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is (3S)-1-acetyl-3-amino-2,3-dihydroindole-6-carbonitrile.

Molecular Properties

Compound Name(3S)-1-acetyl-3-amino-2,3-dihydroindole-6-carbonitrile
PubChem CID58686692
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name(3S)-1-acetyl-3-amino-2,3-dihydroindole-6-carbonitrile
SMILESCC(=O)N1C[C@@H](N)c2ccc(C#N)cc21
InChIInChI=1S/C11H11N3O/c1-7(15)14-6-10(13)9-3-2-8(5-12)4-11(9)14/h2-4,10H,6,13H2,1H3/t10-/m1/s1
InChIKeyLZYVPOVSAZNCQA-SNVBAGLBSA-N
XLogP0.92
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-acetyl-3-amino-2,3-dihydroindole-6-carbonitrile?
The IUPAC name of (3S)-1-acetyl-3-amino-2,3-dihydroindole-6-carbonitrile (CID 58686692) is (3S)-1-acetyl-3-amino-2,3-dihydroindole-6-carbonitrile.
What is the SMILES notation for (3S)-1-acetyl-3-amino-2,3-dihydroindole-6-carbonitrile?
The canonical SMILES for (3S)-1-acetyl-3-amino-2,3-dihydroindole-6-carbonitrile is CC(=O)N1C[C@@H](N)c2ccc(C#N)cc21.
What is the InChIKey of (3S)-1-acetyl-3-amino-2,3-dihydroindole-6-carbonitrile?
The InChIKey is LZYVPOVSAZNCQA-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11N3O/c1-7(15)14-6-10(13)9-3-2-8(5-12)4-11(9)14/h2-4,10H,6,13H2,1H3/t10-/m1/s1.
What are the key properties of (3S)-1-acetyl-3-amino-2,3-dihydroindole-6-carbonitrile?
(3S)-1-acetyl-3-amino-2,3-dihydroindole-6-carbonitrile has a molecular weight of 201.23 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-acetyl-3-amino-2,3-dihydroindole-6-carbonitrile is sourced from PubChem (CID 58686692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).