2-(1-ethyl-7-methyl-2-oxo-3,4-dihydronaphthalen-1-yl)acetonitrile

C15H17NO — CID 118262220

IUPAC2-(1-ethyl-7-methyl-2-oxo-3,4-dihydronaphthalen-1-yl)acetonitrile
SMILESCCC1(CC#N)C(=O)CCc2ccc(C)cc21
InChIInChI=1S/C15H17NO/c1-3-15(8-9-16)13-10-11(2)4-5-12(13)6-7-14(15)17/h4-5,10H,3,6-8H2,1-2H3
InChIKeySICHMVOWLUOCPF-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.07
Rot. Bonds2

About 2-(1-ethyl-7-methyl-2-oxo-3,4-dihydronaphthalen-1-yl)acetonitrile

2-(1-ethyl-7-methyl-2-oxo-3,4-dihydronaphthalen-1-yl)acetonitrile (PubChem CID 118262220) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(1-ethyl-7-methyl-2-oxo-3,4-dihydronaphthalen-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-ethyl-7-methyl-2-oxo-3,4-dihydronaphthalen-1-yl)acetonitrile
PubChem CID118262220
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-(1-ethyl-7-methyl-2-oxo-3,4-dihydronaphthalen-1-yl)acetonitrile
SMILESCCC1(CC#N)C(=O)CCc2ccc(C)cc21
InChIInChI=1S/C15H17NO/c1-3-15(8-9-16)13-10-11(2)4-5-12(13)6-7-14(15)17/h4-5,10H,3,6-8H2,1-2H3
InChIKeySICHMVOWLUOCPF-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-7-methyl-2-oxo-3,4-dihydronaphthalen-1-yl)acetonitrile?
The IUPAC name of 2-(1-ethyl-7-methyl-2-oxo-3,4-dihydronaphthalen-1-yl)acetonitrile (CID 118262220) is 2-(1-ethyl-7-methyl-2-oxo-3,4-dihydronaphthalen-1-yl)acetonitrile.
What is the SMILES notation for 2-(1-ethyl-7-methyl-2-oxo-3,4-dihydronaphthalen-1-yl)acetonitrile?
The canonical SMILES for 2-(1-ethyl-7-methyl-2-oxo-3,4-dihydronaphthalen-1-yl)acetonitrile is CCC1(CC#N)C(=O)CCc2ccc(C)cc21.
What is the InChIKey of 2-(1-ethyl-7-methyl-2-oxo-3,4-dihydronaphthalen-1-yl)acetonitrile?
The InChIKey is SICHMVOWLUOCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-3-15(8-9-16)13-10-11(2)4-5-12(13)6-7-14(15)17/h4-5,10H,3,6-8H2,1-2H3.
What are the key properties of 2-(1-ethyl-7-methyl-2-oxo-3,4-dihydronaphthalen-1-yl)acetonitrile?
2-(1-ethyl-7-methyl-2-oxo-3,4-dihydronaphthalen-1-yl)acetonitrile has a molecular weight of 227.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-7-methyl-2-oxo-3,4-dihydronaphthalen-1-yl)acetonitrile is sourced from PubChem (CID 118262220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).