4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one

C16H29N3O2 — CID 119649660

IUPAC4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one
SMILESCCC(CC)N1CC(C(=O)N2CCCC2CNC)CC1=O
InChIInChI=1S/C16H29N3O2/c1-4-13(5-2)19-11-12(9-15(19)20)16(21)18-8-6-7-14(18)10-17-3/h12-14,17H,4-11H2,1-3H3
InChIKeyAMSUHWMDWLVBTA-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.23
Rot. Bonds6

About 4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one

4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one (PubChem CID 119649660) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one
PubChem CID119649660
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one
SMILESCCC(CC)N1CC(C(=O)N2CCCC2CNC)CC1=O
InChIInChI=1S/C16H29N3O2/c1-4-13(5-2)19-11-12(9-15(19)20)16(21)18-8-6-7-14(18)10-17-3/h12-14,17H,4-11H2,1-3H3
InChIKeyAMSUHWMDWLVBTA-UHFFFAOYSA-N
XLogP1.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one?
The IUPAC name of 4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one (CID 119649660) is 4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one.
What is the SMILES notation for 4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one?
The canonical SMILES for 4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one is CCC(CC)N1CC(C(=O)N2CCCC2CNC)CC1=O.
What is the InChIKey of 4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one?
The InChIKey is AMSUHWMDWLVBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-4-13(5-2)19-11-12(9-15(19)20)16(21)18-8-6-7-14(18)10-17-3/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one?
4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one has a molecular weight of 295.43 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one is sourced from PubChem (CID 119649660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).