4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]pyrrolidin-2-one

C15H20N2O2 — CID 106182941

IUPAC4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]pyrrolidin-2-one
SMILESCC1(C)CC(NC2CNC(=O)C2)c2ccccc2O1
InChIInChI=1S/C15H20N2O2/c1-15(2)8-12(17-10-7-14(18)16-9-10)11-5-3-4-6-13(11)19-15/h3-6,10,12,17H,7-9H2,1-2H3,(H,16,18)
InChIKeyJVYVYBYNVHPLHF-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.77
Rot. Bonds2

About 4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]pyrrolidin-2-one

4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]pyrrolidin-2-one (PubChem CID 106182941) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]pyrrolidin-2-one
PubChem CID106182941
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]pyrrolidin-2-one
SMILESCC1(C)CC(NC2CNC(=O)C2)c2ccccc2O1
InChIInChI=1S/C15H20N2O2/c1-15(2)8-12(17-10-7-14(18)16-9-10)11-5-3-4-6-13(11)19-15/h3-6,10,12,17H,7-9H2,1-2H3,(H,16,18)
InChIKeyJVYVYBYNVHPLHF-UHFFFAOYSA-N
XLogP1.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopent-3-en-1-yl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 113262696
N-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81137115
2,2-dimethyl-N-(4-methylcyclohexyl)-3,4-dihydrochromen-4-amine
CID 81137288
4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]pyrrolidin-2-one
CID 106182139
5-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-1-methylpiperidin-2-one
CID 81140242
3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrrolidine-2,5-dione
CID 81142189
4-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one
CID 106182038
4-(2,3-dihydro-1-benzothiophen-3-ylamino)pyrrolidin-2-one
CID 106184667
4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one
CID 106183674
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
CID 56922214
N-(2-cyclopropyloxolan-3-yl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 103905886
2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydrochromen-4-amine
CID 81139369

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]pyrrolidin-2-one (CID 106182941) is 4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]pyrrolidin-2-one is CC1(C)CC(NC2CNC(=O)C2)c2ccccc2O1.
What is the InChIKey of 4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]pyrrolidin-2-one?
The InChIKey is JVYVYBYNVHPLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2)8-12(17-10-7-14(18)16-9-10)11-5-3-4-6-13(11)19-15/h3-6,10,12,17H,7-9H2,1-2H3,(H,16,18).
What are the key properties of 4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]pyrrolidin-2-one?
4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]pyrrolidin-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106182941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).