(1R)-1,6-diamino-7-chloro-2,3-dihydro-1H-indene-5-carbonitrile

C10H10ClN3 — CID 130691416

IUPAC(1R)-1,6-diamino-7-chloro-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1cc2c(c(Cl)c1N)[C@H](N)CC2
InChIInChI=1S/C10H10ClN3/c11-9-8-5(1-2-7(8)13)3-6(4-12)10(9)14/h3,7H,1-2,13-14H2/t7-/m1/s1
InChIKeyPEBMGJIJMHYGFW-SSDOTTSWSA-N
MW207.66 g/mol
LogP1.74
Rot. Bonds

About (1R)-1,6-diamino-7-chloro-2,3-dihydro-1H-indene-5-carbonitrile

(1R)-1,6-diamino-7-chloro-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 130691416) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is (1R)-1,6-diamino-7-chloro-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name(1R)-1,6-diamino-7-chloro-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID130691416
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name(1R)-1,6-diamino-7-chloro-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1cc2c(c(Cl)c1N)[C@H](N)CC2
InChIInChI=1S/C10H10ClN3/c11-9-8-5(1-2-7(8)13)3-6(4-12)10(9)14/h3,7H,1-2,13-14H2/t7-/m1/s1
InChIKeyPEBMGJIJMHYGFW-SSDOTTSWSA-N
XLogP1.74
TPSA75.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3,7-diamino-6-methyl-2,3-dihydro-1H-indene-4-carbonitrile
CID 130654199
(3S)-3-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 131071329
(3S)-3-amino-4,6-difluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 130673520
(1R)-1-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 131123798
5-chloro-7-methyl-2,3-dihydro-1H-inden-1-amine
CID 91618885
(1R)-1-amino-6-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile
CID 130691990
6-chloro-5-fluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-3-carbonitrile
CID 164528990
1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine
CID 77181867
(1R,8R)-1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine
CID 66733867
(8R)-4,8-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 130631682
(1R)-1-amino-2,3-dihydro-1H-indene-4,6-dicarbonitrile
CID 130631178
(8S)-8-amino-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 131010416

Frequently Asked Questions

What is the IUPAC name of (1R)-1,6-diamino-7-chloro-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of (1R)-1,6-diamino-7-chloro-2,3-dihydro-1H-indene-5-carbonitrile (CID 130691416) is (1R)-1,6-diamino-7-chloro-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for (1R)-1,6-diamino-7-chloro-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for (1R)-1,6-diamino-7-chloro-2,3-dihydro-1H-indene-5-carbonitrile is N#Cc1cc2c(c(Cl)c1N)[C@H](N)CC2.
What is the InChIKey of (1R)-1,6-diamino-7-chloro-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is PEBMGJIJMHYGFW-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H10ClN3/c11-9-8-5(1-2-7(8)13)3-6(4-12)10(9)14/h3,7H,1-2,13-14H2/t7-/m1/s1.
What are the key properties of (1R)-1,6-diamino-7-chloro-2,3-dihydro-1H-indene-5-carbonitrile?
(1R)-1,6-diamino-7-chloro-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 207.66 g/mol, XLogP of 1.74, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,6-diamino-7-chloro-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 130691416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).