N-[2-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]acetamide

C13H14N2O — CID 147490367

IUPACN-[2-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(=O)NC1c2ccccc2CC1CC#N
InChIInChI=1S/C13H14N2O/c1-9(16)15-13-11(6-7-14)8-10-4-2-3-5-12(10)13/h2-5,11,13H,6,8H2,1H3,(H,15,16)
InChIKeyFFKCIDBRLOGYEI-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.95
Rot. Bonds2

About N-[2-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]acetamide

N-[2-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 147490367) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is N-[2-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID147490367
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC NameN-[2-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(=O)NC1c2ccccc2CC1CC#N
InChIInChI=1S/C13H14N2O/c1-9(16)15-13-11(6-7-14)8-10-4-2-3-5-12(10)13/h2-5,11,13H,6,8H2,1H3,(H,15,16)
InChIKeyFFKCIDBRLOGYEI-UHFFFAOYSA-N
XLogP1.95
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide
CID 2753031
N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 130969150
(1-acetamido-2,3-dihydro-1H-inden-2-yl) methanesulfonate
CID 87314664
ethyl 2-(1-acetamido-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoate
CID 132579997
N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 139750970
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetonitrile
CID 66419895
N-[3-(3-cyano-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 167482693
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
N-[(1R,2S)-2-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 134952452
2-(2-methylsulfanylcarbonylsulfanyl-2,3-dihydro-1H-inden-1-yl)acetonitrile
CID 102067453
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pent-4-ynamide
CID 114028589

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of N-[2-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]acetamide (CID 147490367) is N-[2-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for N-[2-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]acetamide is CC(=O)NC1c2ccccc2CC1CC#N.
What is the InChIKey of N-[2-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is FFKCIDBRLOGYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9(16)15-13-11(6-7-14)8-10-4-2-3-5-12(10)13/h2-5,11,13H,6,8H2,1H3,(H,15,16).
What are the key properties of N-[2-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]acetamide?
N-[2-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 214.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 147490367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).