5-[[di(propan-2-yl)amino]methyl]pyrrolidin-3-one

C11H22N2O — CID 176601857

IUPAC5-[[di(propan-2-yl)amino]methyl]pyrrolidin-3-one
SMILESCC(C)N(CC1CC(=O)CN1)C(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)13(9(3)4)7-10-5-11(14)6-12-10/h8-10,12H,5-7H2,1-4H3
InChIKeyTXKQDTPFEBTSHD-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.04
Rot. Bonds4

About 5-[[di(propan-2-yl)amino]methyl]pyrrolidin-3-one

5-[[di(propan-2-yl)amino]methyl]pyrrolidin-3-one (PubChem CID 176601857) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 5-[[di(propan-2-yl)amino]methyl]pyrrolidin-3-one.

Molecular Properties

Compound Name5-[[di(propan-2-yl)amino]methyl]pyrrolidin-3-one
PubChem CID176601857
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name5-[[di(propan-2-yl)amino]methyl]pyrrolidin-3-one
SMILESCC(C)N(CC1CC(=O)CN1)C(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)13(9(3)4)7-10-5-11(14)6-12-10/h8-10,12H,5-7H2,1-4H3
InChIKeyTXKQDTPFEBTSHD-UHFFFAOYSA-N
XLogP1.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methylpyrrolidin-3-one
CID 20082658
1-(3-Fluoropyrrolidin-3-yl)-2-(propan-2-ylamino)ethanone
CID 146329193
5-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-one
CID 172334509
2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-one
CID 172335123
2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-one
CID 172335263
2-[2-[2-Fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one
CID 176601737
(5S)-5-methylpyrrolidin-3-one
CID 15474584
1-(4-Amino-1-methylpyrrolidin-2-yl)ethanone
CID 20578945
2-(Tert-butylamino)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-3-one
CID 20750355
1-(4-Aminopyrrolidin-2-yl)ethanone
CID 20802825
CID 21305427
CID 21305427
CID 21305430
CID 21305430

Frequently Asked Questions

What is the IUPAC name of 5-[[di(propan-2-yl)amino]methyl]pyrrolidin-3-one?
The IUPAC name of 5-[[di(propan-2-yl)amino]methyl]pyrrolidin-3-one (CID 176601857) is 5-[[di(propan-2-yl)amino]methyl]pyrrolidin-3-one.
What is the SMILES notation for 5-[[di(propan-2-yl)amino]methyl]pyrrolidin-3-one?
The canonical SMILES for 5-[[di(propan-2-yl)amino]methyl]pyrrolidin-3-one is CC(C)N(CC1CC(=O)CN1)C(C)C.
What is the InChIKey of 5-[[di(propan-2-yl)amino]methyl]pyrrolidin-3-one?
The InChIKey is TXKQDTPFEBTSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)13(9(3)4)7-10-5-11(14)6-12-10/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 5-[[di(propan-2-yl)amino]methyl]pyrrolidin-3-one?
5-[[di(propan-2-yl)amino]methyl]pyrrolidin-3-one has a molecular weight of 198.31 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[di(propan-2-yl)amino]methyl]pyrrolidin-3-one is sourced from PubChem (CID 176601857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).