5-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]pyrrolidin-2-one

C17H24N2O — CID 115532104

IUPAC5-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]pyrrolidin-2-one
SMILESCC1(C)CCc2ccccc2C1NCC1CCC(=O)N1
InChIInChI=1S/C17H24N2O/c1-17(2)10-9-12-5-3-4-6-14(12)16(17)18-11-13-7-8-15(20)19-13/h3-6,13,16,18H,7-11H2,1-2H3,(H,19,20)
InChIKeyZTEYILYEDADNGV-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.57
Rot. Bonds3

About 5-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]pyrrolidin-2-one

5-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 115532104) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]pyrrolidin-2-one
PubChem CID115532104
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name5-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]pyrrolidin-2-one
SMILESCC1(C)CCc2ccccc2C1NCC1CCC(=O)N1
InChIInChI=1S/C17H24N2O/c1-17(2)10-9-12-5-3-4-6-14(12)16(17)18-11-13-7-8-15(20)19-13/h3-6,13,16,18H,7-11H2,1-2H3,(H,19,20)
InChIKeyZTEYILYEDADNGV-UHFFFAOYSA-N
XLogP2.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]pyrrolidin-2-one (CID 115532104) is 5-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]pyrrolidin-2-one is CC1(C)CCc2ccccc2C1NCC1CCC(=O)N1.
What is the InChIKey of 5-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is ZTEYILYEDADNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-17(2)10-9-12-5-3-4-6-14(12)16(17)18-11-13-7-8-15(20)19-13/h3-6,13,16,18H,7-11H2,1-2H3,(H,19,20).
What are the key properties of 5-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]pyrrolidin-2-one?
5-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 272.39 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 115532104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).