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

C16H22N2O — CID 106182139

IUPAC4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]pyrrolidin-2-one
SMILESCC1(C)CCC(NC2CNC(=O)C2)c2ccccc21
InChIInChI=1S/C16H22N2O/c1-16(2)8-7-14(12-5-3-4-6-13(12)16)18-11-9-15(19)17-10-11/h3-6,11,14,18H,7-10H2,1-2H3,(H,17,19)
InChIKeyQXWJMLDOMHVQMM-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.28
Rot. Bonds2

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

4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]pyrrolidin-2-one (PubChem CID 106182139) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]pyrrolidin-2-one
PubChem CID106182139
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]pyrrolidin-2-one
SMILESCC1(C)CCC(NC2CNC(=O)C2)c2ccccc21
InChIInChI=1S/C16H22N2O/c1-16(2)8-7-14(12-5-3-4-6-13(12)16)18-11-9-15(19)17-10-11/h3-6,11,14,18H,7-10H2,1-2H3,(H,17,19)
InChIKeyQXWJMLDOMHVQMM-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethylcyclohexyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 64731855
4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]pyrrolidin-2-one
CID 106182941
N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147302
4-(2,3-dihydro-1-benzothiophen-3-ylamino)pyrrolidin-2-one
CID 106184667
4-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one
CID 106182038
4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one
CID 106181808
N-(2,2-dimethylcyclohexyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 79866587
3-[2-[[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]ethyl]imidazolidine-2,4-dione
CID 124726189
N-(2-methoxycyclopentyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 62088539
1-methyl-4-[(6-oxopiperidin-3-yl)amino]-3,4-dihydroquinolin-2-one
CID 63661342
4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]phenol
CID 43742644
N-(2,2-difluoroethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 113303571

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]pyrrolidin-2-one (CID 106182139) is 4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]pyrrolidin-2-one is CC1(C)CCC(NC2CNC(=O)C2)c2ccccc21.
What is the InChIKey of 4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]pyrrolidin-2-one?
The InChIKey is QXWJMLDOMHVQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-16(2)8-7-14(12-5-3-4-6-13(12)16)18-11-9-15(19)17-10-11/h3-6,11,14,18H,7-10H2,1-2H3,(H,17,19).
What are the key properties of 4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]pyrrolidin-2-one?
4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]pyrrolidin-2-one has a molecular weight of 258.36 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106182139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).