4-[2-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxoethyl]benzonitrile

C19H18N2O — CID 159741477

IUPAC4-[2-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxoethyl]benzonitrile
SMILESN#Cc1ccc(CC(=O)c2ccc3c(c2)CCC(N)C3)cc1
InChIInChI=1S/C19H18N2O/c20-12-14-3-1-13(2-4-14)9-19(22)17-6-5-16-11-18(21)8-7-15(16)10-17/h1-6,10,18H,7-9,11,21H2
InChIKeyNCMYMNNKCSKITK-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.80
Rot. Bonds3

About 4-[2-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxoethyl]benzonitrile

4-[2-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxoethyl]benzonitrile (PubChem CID 159741477) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-[2-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxoethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxoethyl]benzonitrile
PubChem CID159741477
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name4-[2-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxoethyl]benzonitrile
SMILESN#Cc1ccc(CC(=O)c2ccc3c(c2)CCC(N)C3)cc1
InChIInChI=1S/C19H18N2O/c20-12-14-3-1-13(2-4-14)9-19(22)17-6-5-16-11-18(21)8-7-15(16)10-17/h1-6,10,18H,7-9,11,21H2
InChIKeyNCMYMNNKCSKITK-UHFFFAOYSA-N
XLogP2.80
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-1,4-dihydro-3(2H)-phenanthrenone
CID 15078261
4-(7-Amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)benzonitrile;hydrochloride
CID 122183583
1'-[2-(2-Methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carbonitrile;hydrochloride
CID 137659735
1-[4-[2-[(6R)-6-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl]phenyl]ethanone
CID 44353353
1-[4-[2-[6-(Dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl]phenyl]ethanone
CID 44353363
Anthrone amine
CID 70443209
1'-[2-(2-Methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carbonitrile
CID 70916504
2-[3-[4-(3-Fluorophenyl)butyl]-4-[5-(methylamino)pentanoyl]phenyl]benzonitrile
CID 143621100
2-[4-(9-Aminononanoyl)-3-[4-(3-fluorophenyl)butyl]phenyl]benzonitrile
CID 143621558
1-(6-Amino-5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 157377503
1-(6-Amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(4-fluorophenyl)ethanone
CID 158862520
1-(6-Amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 161118332

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxoethyl]benzonitrile?
The IUPAC name of 4-[2-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxoethyl]benzonitrile (CID 159741477) is 4-[2-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxoethyl]benzonitrile.
What is the SMILES notation for 4-[2-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxoethyl]benzonitrile?
The canonical SMILES for 4-[2-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxoethyl]benzonitrile is N#Cc1ccc(CC(=O)c2ccc3c(c2)CCC(N)C3)cc1.
What is the InChIKey of 4-[2-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxoethyl]benzonitrile?
The InChIKey is NCMYMNNKCSKITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c20-12-14-3-1-13(2-4-14)9-19(22)17-6-5-16-11-18(21)8-7-15(16)10-17/h1-6,10,18H,7-9,11,21H2.
What are the key properties of 4-[2-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxoethyl]benzonitrile?
4-[2-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxoethyl]benzonitrile has a molecular weight of 290.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxoethyl]benzonitrile is sourced from PubChem (CID 159741477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).