4-(2-methylpropyl)-1-[[(4S)-4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidin-2-one

C17H30N2O2 — CID 166734845

IUPAC4-(2-methylpropyl)-1-[[(4S)-4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidin-2-one
SMILESCC(C)CC1CC(=O)N(CN2C[C@@H](CC(C)C)CC2=O)C1
InChIInChI=1S/C17H30N2O2/c1-12(2)5-14-7-16(20)18(9-14)11-19-10-15(6-13(3)4)8-17(19)21/h12-15H,5-11H2,1-4H3/t14-,15?/m0/s1
InChIKeyALFCHNUSYDZCPQ-MLCCFXAWSA-N
MW294.44 g/mol
LogP2.73
Rot. Bonds6

About 4-(2-methylpropyl)-1-[[(4S)-4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidin-2-one

4-(2-methylpropyl)-1-[[(4S)-4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidin-2-one (PubChem CID 166734845) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1-[[(4S)-4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-1-[[(4S)-4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidin-2-one
PubChem CID166734845
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name4-(2-methylpropyl)-1-[[(4S)-4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidin-2-one
SMILESCC(C)CC1CC(=O)N(CN2C[C@@H](CC(C)C)CC2=O)C1
InChIInChI=1S/C17H30N2O2/c1-12(2)5-14-7-16(20)18(9-14)11-19-10-15(6-13(3)4)8-17(19)21/h12-15H,5-11H2,1-4H3/t14-,15?/m0/s1
InChIKeyALFCHNUSYDZCPQ-MLCCFXAWSA-N
XLogP2.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one
CID 72911621
(4R)-4-(2-methylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one
CID 97273176
(4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one
CID 97284135
1-(chloromethyl)-4-(2,2-difluoroethyl)pyrrolidin-2-one
CID 67116762
(4S)-4-(2-methylpropyl)-1-[[(3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidin-2-one
CID 171394589
1-(2-aminopropyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669215
1-butyl-5-(2-methylpropyl)piperidin-2-one
CID 139951244
(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbaldehyde
CID 97182055
4-amino-1-(2,2-dimethoxyethyl)pyrrolidin-2-one
CID 168699407
4-amino-1-(3-methylbutyl)piperidin-2-one
CID 83636424
1-[3-(methylamino)butyl]-4-propylpyrrolidin-2-one
CID 104511344
1-(4-aminopentyl)-4-propylpyrrolidin-2-one
CID 104511377

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-1-[[(4S)-4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-(2-methylpropyl)-1-[[(4S)-4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidin-2-one (CID 166734845) is 4-(2-methylpropyl)-1-[[(4S)-4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(2-methylpropyl)-1-[[(4S)-4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(2-methylpropyl)-1-[[(4S)-4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidin-2-one is CC(C)CC1CC(=O)N(CN2C[C@@H](CC(C)C)CC2=O)C1.
What is the InChIKey of 4-(2-methylpropyl)-1-[[(4S)-4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is ALFCHNUSYDZCPQ-MLCCFXAWSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-12(2)5-14-7-16(20)18(9-14)11-19-10-15(6-13(3)4)8-17(19)21/h12-15H,5-11H2,1-4H3/t14-,15?/m0/s1.
What are the key properties of 4-(2-methylpropyl)-1-[[(4S)-4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidin-2-one?
4-(2-methylpropyl)-1-[[(4S)-4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 294.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1-[[(4S)-4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 166734845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).