5-(2-methylpropanoyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C15H17NO — CID 146424595

IUPAC5-(2-methylpropanoyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCC(C)C(=O)C1CCCc2cc(C#N)ccc21
InChIInChI=1S/C15H17NO/c1-10(2)15(17)14-5-3-4-12-8-11(9-16)6-7-13(12)14/h6-8,10,14H,3-5H2,1-2H3
InChIKeyWAHHYTDJUHJFPH-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.20
Rot. Bonds2

About 5-(2-methylpropanoyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

5-(2-methylpropanoyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 146424595) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-(2-methylpropanoyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name5-(2-methylpropanoyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID146424595
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name5-(2-methylpropanoyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCC(C)C(=O)C1CCCc2cc(C#N)ccc21
InChIInChI=1S/C15H17NO/c1-10(2)15(17)14-5-3-4-12-8-11(9-16)6-7-13(12)14/h6-8,10,14H,3-5H2,1-2H3
InChIKeyWAHHYTDJUHJFPH-UHFFFAOYSA-N
XLogP3.20
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 131174975
7-cyano-1-(2-methylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid
CID 68735358
5-(2,2-dioxo-4,6,7,8-tetrahydropyrrolo[2,1-c][1,2,4,6]thiatriazine-3-carbonyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 166306296
2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 71326492
8-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 57278272
5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 118900077
3-methyl-2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-one
CID 114282258
N-(1-cyanoethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55090369
1-ethyl-3,4-dihydro-1H-isochromene-6-carbonitrile
CID 91095644
1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indene-5-carbonitrile
CID 67456419
5-cyano-2-cyclobutylbenzoic acid
CID 118469335
6-[1-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 173179416

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropanoyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 5-(2-methylpropanoyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 146424595) is 5-(2-methylpropanoyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 5-(2-methylpropanoyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 5-(2-methylpropanoyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is CC(C)C(=O)C1CCCc2cc(C#N)ccc21.
What is the InChIKey of 5-(2-methylpropanoyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is WAHHYTDJUHJFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10(2)15(17)14-5-3-4-12-8-11(9-16)6-7-13(12)14/h6-8,10,14H,3-5H2,1-2H3.
What are the key properties of 5-(2-methylpropanoyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
5-(2-methylpropanoyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 227.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropanoyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 146424595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).