1-[[di(propan-2-yl)amino]methyl]pyrrolidin-2-one

C11H22N2O — CID 10081458

IUPAC1-[[di(propan-2-yl)amino]methyl]pyrrolidin-2-one
SMILESCC(C)N(CN1CCCC1=O)C(C)C
InChIInChI=1S/C11H22N2O/c1-9(2)13(10(3)4)8-12-7-5-6-11(12)14/h9-10H,5-8H2,1-4H3
InChIKeyWGHWXNVXZHQVOL-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.69
Rot. Bonds4

About 1-[[di(propan-2-yl)amino]methyl]pyrrolidin-2-one

1-[[di(propan-2-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 10081458) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[[di(propan-2-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[di(propan-2-yl)amino]methyl]pyrrolidin-2-one
PubChem CID10081458
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[[di(propan-2-yl)amino]methyl]pyrrolidin-2-one
SMILESCC(C)N(CN1CCCC1=O)C(C)C
InChIInChI=1S/C11H22N2O/c1-9(2)13(10(3)4)8-12-7-5-6-11(12)14/h9-10H,5-8H2,1-4H3
InChIKeyWGHWXNVXZHQVOL-UHFFFAOYSA-N
XLogP1.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1'-Ethylidenedi-2-pyrrolidinone
CID 13379697
2-Pyrrolidinone, 1-[(diethylamino)methyl]-
CID 4737447
N-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-methylacetamide
CID 13034093
N-(succinimidomethyl)diisobutylamine
CID 15532095
1,3-Dibutyrylimidazolidine
CID 129727013
Trimethyl(2-oxopyrrolidin-1-ylmethyl)ammonium iodide
CID 3038566
1,1-(Diethylcarbamoyl)succinimide
CID 551680
(5R)-1-(diethylaminomethyl)-5-methylpyrrolidin-2-one
CID 10442398
1-[(Dimethylamino)methyl]pyrrolidin-2-one
CID 4186013
1-[(4-Methylpiperazin-1-yl)methyl]pyrrolidin-2-one
CID 4737449
1-[1-(2-Oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one
CID 13742343
Dimethyl-octyl-[(2-oxopyrrolidin-1-yl)methyl]azanium
CID 14552788

Frequently Asked Questions

What is the IUPAC name of 1-[[di(propan-2-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[di(propan-2-yl)amino]methyl]pyrrolidin-2-one (CID 10081458) is 1-[[di(propan-2-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[di(propan-2-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[di(propan-2-yl)amino]methyl]pyrrolidin-2-one is CC(C)N(CN1CCCC1=O)C(C)C.
What is the InChIKey of 1-[[di(propan-2-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is WGHWXNVXZHQVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)13(10(3)4)8-12-7-5-6-11(12)14/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-[[di(propan-2-yl)amino]methyl]pyrrolidin-2-one?
1-[[di(propan-2-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 198.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[di(propan-2-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 10081458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).