6-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C12H17N3O2 — CID 114040292

IUPAC6-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCNCC1CCCN1C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C12H17N3O2/c1-13-8-9-4-3-7-15(9)12(17)10-5-2-6-11(16)14-10/h2,5-6,9,13H,3-4,7-8H2,1H3,(H,14,16)
InChIKeyQEJIBYMEZYDRRU-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.20
Rot. Bonds3

About 6-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

6-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 114040292) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID114040292
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCNCC1CCCN1C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C12H17N3O2/c1-13-8-9-4-3-7-15(9)12(17)10-5-2-6-11(16)14-10/h2,5-6,9,13H,3-4,7-8H2,1H3,(H,14,16)
InChIKeyQEJIBYMEZYDRRU-UHFFFAOYSA-N
XLogP0.20
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(methylaminomethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 119649627
6-[2-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 113322539
6-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 91793447
(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113285249
furan-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119651190
3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 119650109
(3-bromo-2-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484495
(4,5-dichloro-1H-pyrrol-2-yl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63249128
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 119650375
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103121048
(5-chlorofuran-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119651425
1-benzofuran-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484568

Frequently Asked Questions

What is the IUPAC name of 6-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 114040292) is 6-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is CNCC1CCCN1C(=O)c1cccc(=O)[nH]1.
What is the InChIKey of 6-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is QEJIBYMEZYDRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-13-8-9-4-3-7-15(9)12(17)10-5-2-6-11(16)14-10/h2,5-6,9,13H,3-4,7-8H2,1H3,(H,14,16).
What are the key properties of 6-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
6-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 114040292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).