(1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carbonitrile

C11H12N2 — CID 59461618

IUPAC(1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCc1c(C#N)ccc2c1CC[C@@H]2N
InChIInChI=1S/C11H12N2/c1-7-8(6-12)2-3-10-9(7)4-5-11(10)13/h2-3,11H,4-5,13H2,1H3/t11-/m0/s1
InChIKeyZHQXOPUZFWNZIB-NSHDSACASA-N
MW172.23 g/mol
LogP1.81
Rot. Bonds

About (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carbonitrile

(1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 59461618) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name(1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID59461618
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name(1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCc1c(C#N)ccc2c1CC[C@@H]2N
InChIInChI=1S/C11H12N2/c1-7-8(6-12)2-3-10-9(7)4-5-11(10)13/h2-3,11H,4-5,13H2,1H3/t11-/m0/s1
InChIKeyZHQXOPUZFWNZIB-NSHDSACASA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carbonitrile (CID 59461618) is (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carbonitrile is Cc1c(C#N)ccc2c1CC[C@@H]2N.
What is the InChIKey of (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is ZHQXOPUZFWNZIB-NSHDSACASA-N. The full InChI is InChI=1S/C11H12N2/c1-7-8(6-12)2-3-10-9(7)4-5-11(10)13/h2-3,11H,4-5,13H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carbonitrile?
(1S)-1-amino-4-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 (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 59461618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).