(1S)-1-amino-1-deuterio-2,3-dihydroindene-4-carbonitrile;hydrochloride

C10H11ClN2 — CID 158658327

IUPAC(1S)-1-amino-1-deuterio-2,3-dihydroindene-4-carbonitrile;hydrochloride
SMILESCl.[2H][C@]1(N)CCc2c(C#N)cccc21
InChIInChI=1S/C10H10N2.ClH/c11-6-7-2-1-3-9-8(7)4-5-10(9)12;/h1-3,10H,4-5,12H2;1H/t10-;/m0./s1/i10D;
InChIKeyNYCLSOKJNLLCHQ-PNQVFDSTSA-N
MW195.67 g/mol
LogP1.93
Rot. Bonds

About (1S)-1-amino-1-deuterio-2,3-dihydroindene-4-carbonitrile;hydrochloride

(1S)-1-amino-1-deuterio-2,3-dihydroindene-4-carbonitrile;hydrochloride (PubChem CID 158658327) has the molecular formula C10H11ClN2 and a molecular weight of 195.67 g/mol. Its IUPAC name is (1S)-1-amino-1-deuterio-2,3-dihydroindene-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name(1S)-1-amino-1-deuterio-2,3-dihydroindene-4-carbonitrile;hydrochloride
PubChem CID158658327
Molecular FormulaC10H11ClN2
Molecular Weight195.67 g/mol
Exact Mass195.07
IUPAC Name(1S)-1-amino-1-deuterio-2,3-dihydroindene-4-carbonitrile;hydrochloride
SMILESCl.[2H][C@]1(N)CCc2c(C#N)cccc21
InChIInChI=1S/C10H10N2.ClH/c11-6-7-2-1-3-9-8(7)4-5-10(9)12;/h1-3,10H,4-5,12H2;1H/t10-;/m0./s1/i10D;
InChIKeyNYCLSOKJNLLCHQ-PNQVFDSTSA-N
XLogP1.93
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.67
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-6-amino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 55294355
1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-indene-4-carbonitrile
CID 90356337
(5S)-5-formyl-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 124584420
2-cycloheptylbenzonitrile
CID 117288835
1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 55292008
(1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carbonitrile
CID 59461618
(1S)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carbonitrile
CID 163534636
tert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate
CID 52938554
2-[(1R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-4-yl]benzene-1,3-dicarbonitrile
CID 126674389
1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-4-carbonitrile
CID 139512061
1-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile;4-(2-hydroxyethanimidoyl)-2,3-dihydro-1H-inden-1-ol
CID 158308014
(1R)-1-amino-2,3-dihydro-1H-indene-4,6-dicarbonitrile
CID 130631178

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-1-deuterio-2,3-dihydroindene-4-carbonitrile;hydrochloride?
The IUPAC name of (1S)-1-amino-1-deuterio-2,3-dihydroindene-4-carbonitrile;hydrochloride (CID 158658327) is (1S)-1-amino-1-deuterio-2,3-dihydroindene-4-carbonitrile;hydrochloride.
What is the SMILES notation for (1S)-1-amino-1-deuterio-2,3-dihydroindene-4-carbonitrile;hydrochloride?
The canonical SMILES for (1S)-1-amino-1-deuterio-2,3-dihydroindene-4-carbonitrile;hydrochloride is Cl.[2H][C@]1(N)CCc2c(C#N)cccc21.
What is the InChIKey of (1S)-1-amino-1-deuterio-2,3-dihydroindene-4-carbonitrile;hydrochloride?
The InChIKey is NYCLSOKJNLLCHQ-PNQVFDSTSA-N. The full InChI is InChI=1S/C10H10N2.ClH/c11-6-7-2-1-3-9-8(7)4-5-10(9)12;/h1-3,10H,4-5,12H2;1H/t10-;/m0./s1/i10D;.
What are the key properties of (1S)-1-amino-1-deuterio-2,3-dihydroindene-4-carbonitrile;hydrochloride?
(1S)-1-amino-1-deuterio-2,3-dihydroindene-4-carbonitrile;hydrochloride has a molecular weight of 195.67 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-1-deuterio-2,3-dihydroindene-4-carbonitrile;hydrochloride is sourced from PubChem (CID 158658327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).