1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]formamide

C15H18N2O — CID 115172769

IUPAC1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]formamide
SMILESCC(C)(CNC(=O)C#N)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H18N2O/c1-15(2,10-17-14(18)9-16)13-7-6-11-4-3-5-12(11)8-13/h6-8H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyCRFUZYPTLQFBPR-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.09
Rot. Bonds3

About 1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]formamide

1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]formamide (PubChem CID 115172769) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]formamide.

Molecular Properties

Compound Name1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]formamide
PubChem CID115172769
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]formamide
SMILESCC(C)(CNC(=O)C#N)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H18N2O/c1-15(2,10-17-14(18)9-16)13-7-6-11-4-3-5-12(11)8-13/h6-8H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyCRFUZYPTLQFBPR-UHFFFAOYSA-N
XLogP2.09
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_cyanide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]acetamide
CID 115162255
2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]acetonitrile
CID 115131481
3-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]propanenitrile
CID 115231328
2-(2,3-dihydro-1H-inden-5-yl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261409
N'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196158
2-[[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]amino]acetamide
CID 115260325
1-cyano-N-[2-methyl-2-(4-propylphenyl)propyl]formamide
CID 115172771
1-cyano-N-[2-(3-methoxyphenyl)-2-methylpropyl]formamide
CID 115172833
N-[(2R)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 101124562
N-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 10999367
3-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]propane-1-thiol
CID 115225322
5-tert-butyl-2,3-dihydro-1H-indene
CID 15271758

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]formamide?
The IUPAC name of 1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]formamide (CID 115172769) is 1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]formamide.
What is the SMILES notation for 1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]formamide?
The canonical SMILES for 1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]formamide is CC(C)(CNC(=O)C#N)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]formamide?
The InChIKey is CRFUZYPTLQFBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-15(2,10-17-14(18)9-16)13-7-6-11-4-3-5-12(11)8-13/h6-8H,3-5,10H2,1-2H3,(H,17,18).
What are the key properties of 1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]formamide?
1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]formamide has a molecular weight of 242.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 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)-2-methylpropyl]formamide is sourced from PubChem (CID 115172769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).