(3R,3aR)-3,6-dimethyl-3,3a-dihydro-1H-pyrrolo[2,3-b]pyridine-2,4-dione

C9H10N2O2 — CID 136670214

IUPAC(3R,3aR)-3,6-dimethyl-3,3a-dihydro-1H-pyrrolo[2,3-b]pyridine-2,4-dione
SMILESCC1=CC(=O)[C@H]2C(=N1)NC(=O)[C@@H]2C
InChIInChI=1S/C9H10N2O2/c1-4-3-6(12)7-5(2)9(13)11-8(7)10-4/h3,5,7H,1-2H3,(H,10,11,13)/t5-,7+/m1/s1
InChIKeyAXPNOMLKBPFGKR-VDTYLAMSSA-N
MW178.19 g/mol
LogP0.25
Rot. Bonds

About (3R,3aR)-3,6-dimethyl-3,3a-dihydro-1H-pyrrolo[2,3-b]pyridine-2,4-dione

(3R,3aR)-3,6-dimethyl-3,3a-dihydro-1H-pyrrolo[2,3-b]pyridine-2,4-dione (PubChem CID 136670214) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is (3R,3aR)-3,6-dimethyl-3,3a-dihydro-1H-pyrrolo[2,3-b]pyridine-2,4-dione.

Molecular Properties

Compound Name(3R,3aR)-3,6-dimethyl-3,3a-dihydro-1H-pyrrolo[2,3-b]pyridine-2,4-dione
PubChem CID136670214
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name(3R,3aR)-3,6-dimethyl-3,3a-dihydro-1H-pyrrolo[2,3-b]pyridine-2,4-dione
SMILESCC1=CC(=O)[C@H]2C(=N1)NC(=O)[C@@H]2C
InChIInChI=1S/C9H10N2O2/c1-4-3-6(12)7-5(2)9(13)11-8(7)10-4/h3,5,7H,1-2H3,(H,10,11,13)/t5-,7+/m1/s1
InChIKeyAXPNOMLKBPFGKR-VDTYLAMSSA-N
XLogP0.25
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,3aR)-3,6-dimethyl-3,3a-dihydro-1H-pyrrolo[2,3-b]pyridine-2,4-dione with MolForge

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Related Compounds

(3S,3aS)-5-butyl-3,6-dimethyl-3,3a-dihydro-1H-pyrrolo[2,3-b]pyridine-2,4-dione
CID 136848993
3,4-dimethylpyrrolidine-2,5-dione
CID 3550866
(3S,3aS,5R)-5-ethyl-3-methyl-3a,7-dihydro-3H-pyrrolo[2,3-b]pyridine-2,4,6-trione
CID 98056316
(3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione
CID 917022
2,6-dimethyl-3-nitro-3H-pyridin-4-one
CID 78198784
2,6,8-trimethyl-4aH-quinolin-4-one
CID 178203272
(3R,3aS,5S)-5-butyl-3-methyl-3a,7-dihydro-3H-pyrrolo[2,3-b]pyridine-2,4,6-trione
CID 129460344
(3R,4R)-3,4,5-trimethyl-3,4-dihydropyrrol-2-one
CID 45092682
6-fluoro-2-methyl-4aH-quinolin-4-one
CID 71650445
2-cyclohexyl-5-methylpyrrol-3-one
CID 141202518
5-methyl-2-(4-methylphenyl)-7H-[1,3]thiazolo[4,5-b][1,4]thiazin-6-one
CID 86101521
2,4-dimethyl-1,4-dihydroimidazol-5-one
CID 11571792

Frequently Asked Questions

What is the IUPAC name of (3R,3aR)-3,6-dimethyl-3,3a-dihydro-1H-pyrrolo[2,3-b]pyridine-2,4-dione?
The IUPAC name of (3R,3aR)-3,6-dimethyl-3,3a-dihydro-1H-pyrrolo[2,3-b]pyridine-2,4-dione (CID 136670214) is (3R,3aR)-3,6-dimethyl-3,3a-dihydro-1H-pyrrolo[2,3-b]pyridine-2,4-dione.
What is the SMILES notation for (3R,3aR)-3,6-dimethyl-3,3a-dihydro-1H-pyrrolo[2,3-b]pyridine-2,4-dione?
The canonical SMILES for (3R,3aR)-3,6-dimethyl-3,3a-dihydro-1H-pyrrolo[2,3-b]pyridine-2,4-dione is CC1=CC(=O)[C@H]2C(=N1)NC(=O)[C@@H]2C.
What is the InChIKey of (3R,3aR)-3,6-dimethyl-3,3a-dihydro-1H-pyrrolo[2,3-b]pyridine-2,4-dione?
The InChIKey is AXPNOMLKBPFGKR-VDTYLAMSSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-4-3-6(12)7-5(2)9(13)11-8(7)10-4/h3,5,7H,1-2H3,(H,10,11,13)/t5-,7+/m1/s1.
What are the key properties of (3R,3aR)-3,6-dimethyl-3,3a-dihydro-1H-pyrrolo[2,3-b]pyridine-2,4-dione?
(3R,3aR)-3,6-dimethyl-3,3a-dihydro-1H-pyrrolo[2,3-b]pyridine-2,4-dione has a molecular weight of 178.19 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR)-3,6-dimethyl-3,3a-dihydro-1H-pyrrolo[2,3-b]pyridine-2,4-dione is sourced from PubChem (CID 136670214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).