2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-methylidene-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione

C14H14ClN3O2 — CID 18717330

IUPAC2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-methylidene-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
SMILESC=C1CC2C(=O)N(c3nc(C)c(Cl)cc3C)C(=O)N2C1
InChIInChI=1S/C14H14ClN3O2/c1-7-4-11-13(19)18(14(20)17(11)6-7)12-8(2)5-10(15)9(3)16-12/h5,11H,1,4,6H2,2-3H3
InChIKeyXZBLFPXGPOTYOX-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.45
Rot. Bonds1

About 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-methylidene-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione

2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-methylidene-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 18717330) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-methylidene-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-methylidene-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID18717330
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-methylidene-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
SMILESC=C1CC2C(=O)N(c3nc(C)c(Cl)cc3C)C(=O)N2C1
InChIInChI=1S/C14H14ClN3O2/c1-7-4-11-13(19)18(14(20)17(11)6-7)12-8(2)5-10(15)9(3)16-12/h5,11H,1,4,6H2,2-3H3
InChIKeyXZBLFPXGPOTYOX-UHFFFAOYSA-N
XLogP2.45
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 18717440
[2-(5-chloro-3,6-dimethyl-2-pyridinyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl] methanesulfonate
CID 18717445
1-(5-chloro-3,6-dimethyl-2-pyridinyl)pyrrolidine-2,5-dione
CID 18717207
2-(3,5-dimethyl-2-pyridinyl)-7-methylidene-5,6,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione
CID 18717433
2-(5-chloro-3,6-dimethyl-2-pyridinyl)-7-methylidene-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,2-a]diazepine-1,3-dione
CID 18731717
2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-methylidene-7,8-dihydro-5H-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
CID 18731707
2-(3,5-dimethyl-2-pyridinyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 18717431
2-(2-methylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
CID 4897900
2-(5-chloro-3,6-dimethyl-2-pyridinyl)-4-ethyl-5-methyl-1,2,4-triazol-3-one
CID 18717260
2-(3-chloro-4-methylphenyl)-5,6,7,8,9,9a-hexahydroimidazo[1,5-a]azepine-1,3-dione
CID 64564457
2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-methylpyridazin-3-one
CID 18717264
5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1,6-bis(difluoromethyl)pyrimidine-2,4-dione
CID 91453030

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-methylidene-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-methylidene-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione (CID 18717330) is 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-methylidene-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-methylidene-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-methylidene-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione is C=C1CC2C(=O)N(c3nc(C)c(Cl)cc3C)C(=O)N2C1.
What is the InChIKey of 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-methylidene-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is XZBLFPXGPOTYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-7-4-11-13(19)18(14(20)17(11)6-7)12-8(2)5-10(15)9(3)16-12/h5,11H,1,4,6H2,2-3H3.
What are the key properties of 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-methylidene-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione?
2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-methylidene-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 291.74 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-methylidene-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 18717330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).