(3R)-3-amino-7-methyl-2,3-dihydro-1H-indene-5-carbonitrile

C11H12N2 — CID 131020030

IUPAC(3R)-3-amino-7-methyl-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCc1cc(C#N)cc2c1CC[C@H]2N
InChIInChI=1S/C11H12N2/c1-7-4-8(6-12)5-10-9(7)2-3-11(10)13/h4-5,11H,2-3,13H2,1H3/t11-/m1/s1
InChIKeyHTHVSAIDWLATJY-LLVKDONJSA-N
MW172.23 g/mol
LogP1.81
Rot. Bonds

About (3R)-3-amino-7-methyl-2,3-dihydro-1H-indene-5-carbonitrile

(3R)-3-amino-7-methyl-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 131020030) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (3R)-3-amino-7-methyl-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name(3R)-3-amino-7-methyl-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID131020030
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name(3R)-3-amino-7-methyl-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCc1cc(C#N)cc2c1CC[C@H]2N
InChIInChI=1S/C11H12N2/c1-7-4-8(6-12)5-10-9(7)2-3-11(10)13/h4-5,11H,2-3,13H2,1H3/t11-/m1/s1
InChIKeyHTHVSAIDWLATJY-LLVKDONJSA-N
XLogP1.81
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-amino-2,3-dihydro-1H-indene-4,6-dicarbonitrile
CID 130631178
(3S)-3-amino-7-iodo-2,3-dihydro-1H-indene-5-carbonitrile
CID 130739664
(1R)-6-chloro-4-methyl-2,3-dihydro-1H-inden-1-amine
CID 55275438
(1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carbonitrile
CID 59461618
(3R)-3-amino-7-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 130641905
(1R)-1-amino-6-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile
CID 130691990
4-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-3-methylbenzonitrile
CID 114479486
(3S)-3,7-diamino-6-methyl-2,3-dihydro-1H-indene-4-carbonitrile
CID 130654199
(1R)-7-chloro-5-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55274275
(1R)-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 134159261
3,5-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 130044058
(1R)-4-bromo-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 130673475

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-7-methyl-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of (3R)-3-amino-7-methyl-2,3-dihydro-1H-indene-5-carbonitrile (CID 131020030) is (3R)-3-amino-7-methyl-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for (3R)-3-amino-7-methyl-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for (3R)-3-amino-7-methyl-2,3-dihydro-1H-indene-5-carbonitrile is Cc1cc(C#N)cc2c1CC[C@H]2N.
What is the InChIKey of (3R)-3-amino-7-methyl-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is HTHVSAIDWLATJY-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12N2/c1-7-4-8(6-12)5-10-9(7)2-3-11(10)13/h4-5,11H,2-3,13H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-3-amino-7-methyl-2,3-dihydro-1H-indene-5-carbonitrile?
(3R)-3-amino-7-methyl-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 172.23 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-7-methyl-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 131020030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).