(1R)-1-amino-2,3-dihydro-1H-indene-4,6-dicarbonitrile

C11H9N3 — CID 130631178

IUPAC(1R)-1-amino-2,3-dihydro-1H-indene-4,6-dicarbonitrile
SMILESN#Cc1cc(C#N)c2c(c1)[C@H](N)CC2
InChIInChI=1S/C11H9N3/c12-5-7-3-8(6-13)9-1-2-11(14)10(9)4-7/h3-4,11H,1-2,14H2/t11-/m1/s1
InChIKeyACWAADGGZFCWCY-LLVKDONJSA-N
MW183.21 g/mol
LogP1.38
Rot. Bonds

About (1R)-1-amino-2,3-dihydro-1H-indene-4,6-dicarbonitrile

(1R)-1-amino-2,3-dihydro-1H-indene-4,6-dicarbonitrile (PubChem CID 130631178) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (1R)-1-amino-2,3-dihydro-1H-indene-4,6-dicarbonitrile.

Molecular Properties

Compound Name(1R)-1-amino-2,3-dihydro-1H-indene-4,6-dicarbonitrile
PubChem CID130631178
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name(1R)-1-amino-2,3-dihydro-1H-indene-4,6-dicarbonitrile
SMILESN#Cc1cc(C#N)c2c(c1)[C@H](N)CC2
InChIInChI=1S/C11H9N3/c12-5-7-3-8(6-13)9-1-2-11(14)10(9)4-7/h3-4,11H,1-2,14H2/t11-/m1/s1
InChIKeyACWAADGGZFCWCY-LLVKDONJSA-N
XLogP1.38
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-7-methyl-2,3-dihydro-1H-indene-5-carbonitrile
CID 131020030
(3S)-3-amino-7-iodo-2,3-dihydro-1H-indene-5-carbonitrile
CID 130739664
(1R)-1-amino-6-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile
CID 130691990
3,5-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 130044058
(1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carbonitrile
CID 59461618
1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 55292008
(1R)-1-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 131123798
(1S)-1-amino-6-fluoro-2,3-dihydro-1H-inden-4-ol
CID 130639484
5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
CID 71371462
(3S)-3,7-diamino-6-methyl-2,3-dihydro-1H-indene-4-carbonitrile
CID 130654199
4-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 167722097
(4R)-4,6-diamino-3,4-dihydro-2H-chromene-8-carbonitrile
CID 130665310

Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-2,3-dihydro-1H-indene-4,6-dicarbonitrile?
The IUPAC name of (1R)-1-amino-2,3-dihydro-1H-indene-4,6-dicarbonitrile (CID 130631178) is (1R)-1-amino-2,3-dihydro-1H-indene-4,6-dicarbonitrile.
What is the SMILES notation for (1R)-1-amino-2,3-dihydro-1H-indene-4,6-dicarbonitrile?
The canonical SMILES for (1R)-1-amino-2,3-dihydro-1H-indene-4,6-dicarbonitrile is N#Cc1cc(C#N)c2c(c1)[C@H](N)CC2.
What is the InChIKey of (1R)-1-amino-2,3-dihydro-1H-indene-4,6-dicarbonitrile?
The InChIKey is ACWAADGGZFCWCY-LLVKDONJSA-N. The full InChI is InChI=1S/C11H9N3/c12-5-7-3-8(6-13)9-1-2-11(14)10(9)4-7/h3-4,11H,1-2,14H2/t11-/m1/s1.
What are the key properties of (1R)-1-amino-2,3-dihydro-1H-indene-4,6-dicarbonitrile?
(1R)-1-amino-2,3-dihydro-1H-indene-4,6-dicarbonitrile has a molecular weight of 183.21 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-2,3-dihydro-1H-indene-4,6-dicarbonitrile is sourced from PubChem (CID 130631178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).