4-(2-naphthalen-1-ylacetyl)morpholine-2-carbonitrile

C17H16N2O2 — CID 78945470

IUPAC4-(2-naphthalen-1-ylacetyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)Cc2cccc3ccccc23)CCO1
InChIInChI=1S/C17H16N2O2/c18-11-15-12-19(8-9-21-15)17(20)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,15H,8-10,12H2
InChIKeyRSGFXNVCUUDRSU-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.13
Rot. Bonds2

About 4-(2-naphthalen-1-ylacetyl)morpholine-2-carbonitrile

4-(2-naphthalen-1-ylacetyl)morpholine-2-carbonitrile (PubChem CID 78945470) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(2-naphthalen-1-ylacetyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-naphthalen-1-ylacetyl)morpholine-2-carbonitrile
PubChem CID78945470
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-(2-naphthalen-1-ylacetyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)Cc2cccc3ccccc23)CCO1
InChIInChI=1S/C17H16N2O2/c18-11-15-12-19(8-9-21-15)17(20)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,15H,8-10,12H2
InChIKeyRSGFXNVCUUDRSU-UHFFFAOYSA-N
XLogP2.13
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone
CID 16894712
4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile
CID 78945471
1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345
4-[3-(2-aminophenoxy)propanoyl]morpholine-2-carbonitrile
CID 79663625
4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]morpholine-2-carbonitrile
CID 154859618
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone
CID 90584610
4-(3-aminonaphthalene-2-carbonyl)morpholine-2-carbonitrile
CID 79670203
4-(quinoline-2-carbonyl)morpholine-2-carbonitrile
CID 78945922
3-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]propanenitrile
CID 54788097
4-(3-phenyl-2-sulfanylpropanoyl)morpholine-2-carbonitrile
CID 107032226
4-(6-aminopyridine-2-carbonyl)morpholine-2-carbonitrile
CID 79675623

Frequently Asked Questions

What is the IUPAC name of 4-(2-naphthalen-1-ylacetyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2-naphthalen-1-ylacetyl)morpholine-2-carbonitrile (CID 78945470) is 4-(2-naphthalen-1-ylacetyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2-naphthalen-1-ylacetyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2-naphthalen-1-ylacetyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)Cc2cccc3ccccc23)CCO1.
What is the InChIKey of 4-(2-naphthalen-1-ylacetyl)morpholine-2-carbonitrile?
The InChIKey is RSGFXNVCUUDRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c18-11-15-12-19(8-9-21-15)17(20)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,15H,8-10,12H2.
What are the key properties of 4-(2-naphthalen-1-ylacetyl)morpholine-2-carbonitrile?
4-(2-naphthalen-1-ylacetyl)morpholine-2-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-naphthalen-1-ylacetyl)morpholine-2-carbonitrile is sourced from PubChem (CID 78945470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).