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

C13H14N2O — CID 104694747

IUPAC2-cyano-N-(2,3-dihydro-1H-inden-2-yl)propanamide
SMILESCC(C#N)C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C13H14N2O/c1-9(8-14)13(16)15-12-6-10-4-2-3-5-11(10)7-12/h2-5,9,12H,6-7H2,1H3,(H,15,16)
InChIKeyMXRMDUXFVNJDLG-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.43
Rot. Bonds2

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

2-cyano-N-(2,3-dihydro-1H-inden-2-yl)propanamide (PubChem CID 104694747) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-cyano-N-(2,3-dihydro-1H-inden-2-yl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(2,3-dihydro-1H-inden-2-yl)propanamide
PubChem CID104694747
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-cyano-N-(2,3-dihydro-1H-inden-2-yl)propanamide
SMILESCC(C#N)C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C13H14N2O/c1-9(8-14)13(16)15-12-6-10-4-2-3-5-11(10)7-12/h2-5,9,12H,6-7H2,1H3,(H,15,16)
InChIKeyMXRMDUXFVNJDLG-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,3-dihydro-1H-inden-2-yl)propanamide
CID 14599683
2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropanamide
CID 107851248
(2R)-2-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide;hydrochloride
CID 119270502
1-(2-cyanophenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 23934831
CID 153368411
CID 153368411
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 79202769
2-[(2,3-dihydro-1H-inden-2-ylcarbamoylamino)methyl]-3-methylbutanoic acid
CID 107843074
2-cyano-N-[(1R,2R)-2-hydroxycyclobutyl]propanamide
CID 130670272
3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)butanoic acid
CID 107843016
tert-butyl N-[(2R)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 97354698
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
2-amino-N-(2,3-dihydro-1H-inden-2-yl)hexanamide
CID 107842684

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,3-dihydro-1H-inden-2-yl)propanamide?
The IUPAC name of 2-cyano-N-(2,3-dihydro-1H-inden-2-yl)propanamide (CID 104694747) is 2-cyano-N-(2,3-dihydro-1H-inden-2-yl)propanamide.
What is the SMILES notation for 2-cyano-N-(2,3-dihydro-1H-inden-2-yl)propanamide?
The canonical SMILES for 2-cyano-N-(2,3-dihydro-1H-inden-2-yl)propanamide is CC(C#N)C(=O)NC1Cc2ccccc2C1.
What is the InChIKey of 2-cyano-N-(2,3-dihydro-1H-inden-2-yl)propanamide?
The InChIKey is MXRMDUXFVNJDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9(8-14)13(16)15-12-6-10-4-2-3-5-11(10)7-12/h2-5,9,12H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-cyano-N-(2,3-dihydro-1H-inden-2-yl)propanamide?
2-cyano-N-(2,3-dihydro-1H-inden-2-yl)propanamide has a molecular weight of 214.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,3-dihydro-1H-inden-2-yl)propanamide is sourced from PubChem (CID 104694747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).