1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylcyclopropane-1-carboxamide

C17H20N2O — CID 115181731

IUPAC1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(CCc1ccc2c(c1)CCC2)C(=O)C1(C#N)CC1
InChIInChI=1S/C17H20N2O/c1-19(16(20)17(12-18)8-9-17)10-7-13-5-6-14-3-2-4-15(14)11-13/h5-6,11H,2-4,7-10H2,1H3
InChIKeyXDKRZFBCXNWRQW-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.48
Rot. Bonds4

About 1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylcyclopropane-1-carboxamide

1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 115181731) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylcyclopropane-1-carboxamide
PubChem CID115181731
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(CCc1ccc2c(c1)CCC2)C(=O)C1(C#N)CC1
InChIInChI=1S/C17H20N2O/c1-19(16(20)17(12-18)8-9-17)10-7-13-5-6-14-3-2-4-15(14)11-13/h5-6,11H,2-4,7-10H2,1H3
InChIKeyXDKRZFBCXNWRQW-UHFFFAOYSA-N
XLogP2.48
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115181721
1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115183397
1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide
CID 115181752
methyl 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]-2-oxoacetate
CID 115142607
2-(2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanamine
CID 117043734
1-cyano-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 115183394
3-amino-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutanamide
CID 115154399
1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115181749
[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol
CID 115229439
N-[(4-chlorophenyl)methyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 80597882
2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]propanoic acid
CID 117042005
N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide
CID 115183388

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylcyclopropane-1-carboxamide (CID 115181731) is 1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylcyclopropane-1-carboxamide is CN(CCc1ccc2c(c1)CCC2)C(=O)C1(C#N)CC1.
What is the InChIKey of 1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is XDKRZFBCXNWRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19(16(20)17(12-18)8-9-17)10-7-13-5-6-14-3-2-4-15(14)11-13/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylcyclopropane-1-carboxamide?
1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 115181731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).