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

C12H12N2O — CID 115171972

IUPAC1-cyano-N-(2,3-dihydro-1H-inden-5-yl)-N-methylformamide
SMILESCN(C(=O)C#N)c1ccc2c(c1)CCC2
InChIInChI=1S/C12H12N2O/c1-14(12(15)8-13)11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4H2,1H3
InChIKeyXNILANZIWJGWOA-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.66
Rot. Bonds1

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

1-cyano-N-(2,3-dihydro-1H-inden-5-yl)-N-methylformamide (PubChem CID 115171972) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-cyano-N-(2,3-dihydro-1H-inden-5-yl)-N-methylformamide.

Molecular Properties

Compound Name1-cyano-N-(2,3-dihydro-1H-inden-5-yl)-N-methylformamide
PubChem CID115171972
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-cyano-N-(2,3-dihydro-1H-inden-5-yl)-N-methylformamide
SMILESCN(C(=O)C#N)c1ccc2c(c1)CCC2
InChIInChI=1S/C12H12N2O/c1-14(12(15)8-13)11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4H2,1H3
InChIKeyXNILANZIWJGWOA-UHFFFAOYSA-N
XLogP1.66
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-N-methylcarbamoyl chloride
CID 115194463
N-(2,3-dihydro-1H-inden-5-yl)-N-methylacetamide
CID 115190982
N-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 10536160
2-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-2-methylpropanenitrile
CID 115129107
3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propanenitrile
CID 115230731
N-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182949
N-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 115160127
4-amino-N,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 115156272
1-cyano-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)formamide
CID 115172068
methyl 4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]butanoate
CID 115233351
4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-3-hydroxybutanoic acid
CID 115122929
2-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylamino)propanoic acid
CID 82082804

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2,3-dihydro-1H-inden-5-yl)-N-methylformamide?
The IUPAC name of 1-cyano-N-(2,3-dihydro-1H-inden-5-yl)-N-methylformamide (CID 115171972) is 1-cyano-N-(2,3-dihydro-1H-inden-5-yl)-N-methylformamide.
What is the SMILES notation for 1-cyano-N-(2,3-dihydro-1H-inden-5-yl)-N-methylformamide?
The canonical SMILES for 1-cyano-N-(2,3-dihydro-1H-inden-5-yl)-N-methylformamide is CN(C(=O)C#N)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-cyano-N-(2,3-dihydro-1H-inden-5-yl)-N-methylformamide?
The InChIKey is XNILANZIWJGWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-14(12(15)8-13)11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4H2,1H3.
What are the key properties of 1-cyano-N-(2,3-dihydro-1H-inden-5-yl)-N-methylformamide?
1-cyano-N-(2,3-dihydro-1H-inden-5-yl)-N-methylformamide has a molecular weight of 200.24 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2,3-dihydro-1H-inden-5-yl)-N-methylformamide is sourced from PubChem (CID 115171972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).