N-(5-cyano-2,3-dihydro-1H-inden-2-yl)acetamide

C12H12N2O — CID 163915439

IUPACN-(5-cyano-2,3-dihydro-1H-inden-2-yl)acetamide
SMILESCC(=O)NC1Cc2ccc(C#N)cc2C1
InChIInChI=1S/C12H12N2O/c1-8(15)14-12-5-10-3-2-9(7-13)4-11(10)6-12/h2-4,12H,5-6H2,1H3,(H,14,15)
InChIKeyUTLRLPYMUQQZJI-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.16
Rot. Bonds1

About N-(5-cyano-2,3-dihydro-1H-inden-2-yl)acetamide

N-(5-cyano-2,3-dihydro-1H-inden-2-yl)acetamide (PubChem CID 163915439) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is N-(5-cyano-2,3-dihydro-1H-inden-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyano-2,3-dihydro-1H-inden-2-yl)acetamide
PubChem CID163915439
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC NameN-(5-cyano-2,3-dihydro-1H-inden-2-yl)acetamide
SMILESCC(=O)NC1Cc2ccc(C#N)cc2C1
InChIInChI=1S/C12H12N2O/c1-8(15)14-12-5-10-3-2-9(7-13)4-11(10)6-12/h2-4,12H,5-6H2,1H3,(H,14,15)
InChIKeyUTLRLPYMUQQZJI-UHFFFAOYSA-N
XLogP1.16
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2,3-dihydro-1H-inden-2-yl)acetamide?
The IUPAC name of N-(5-cyano-2,3-dihydro-1H-inden-2-yl)acetamide (CID 163915439) is N-(5-cyano-2,3-dihydro-1H-inden-2-yl)acetamide.
What is the SMILES notation for N-(5-cyano-2,3-dihydro-1H-inden-2-yl)acetamide?
The canonical SMILES for N-(5-cyano-2,3-dihydro-1H-inden-2-yl)acetamide is CC(=O)NC1Cc2ccc(C#N)cc2C1.
What is the InChIKey of N-(5-cyano-2,3-dihydro-1H-inden-2-yl)acetamide?
The InChIKey is UTLRLPYMUQQZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8(15)14-12-5-10-3-2-9(7-13)4-11(10)6-12/h2-4,12H,5-6H2,1H3,(H,14,15).
What are the key properties of N-(5-cyano-2,3-dihydro-1H-inden-2-yl)acetamide?
N-(5-cyano-2,3-dihydro-1H-inden-2-yl)acetamide has a molecular weight of 200.24 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2,3-dihydro-1H-inden-2-yl)acetamide is sourced from PubChem (CID 163915439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).