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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Related Compounds

1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 119650076
1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119650075
2,3-dihydro-1H-inden-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 106893430
2-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid
CID 61010093
4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one
CID 119651522
3-amino-N-[[1-(5-oxo-1-pentan-2-ylpyrrolidine-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120579955
cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 115316381
4-(4-cyclopentylpiperazine-1-carbonyl)-1-pentan-3-ylpyrrolidin-2-one
CID 112826695
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107127304
1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355319
1-(2-methoxy-5-methylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119650166
4-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 102555787

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).