3-methyl-3-(methylamino)-7,8-dihydropyrrolo[3,4-b]azepin-6-one

C10H13N3O — CID 166848139

IUPAC3-methyl-3-(methylamino)-7,8-dihydropyrrolo[3,4-b]azepin-6-one
SMILESCNC1(C)C=CC2=C(CNC2=O)N=C1
InChIInChI=1S/C10H13N3O/c1-10(11-2)4-3-7-8(13-6-10)5-12-9(7)14/h3-4,6,11H,5H2,1-2H3,(H,12,14)
InChIKeyMNXHEMSOUQEVGI-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.01
Rot. Bonds1

About 3-methyl-3-(methylamino)-7,8-dihydropyrrolo[3,4-b]azepin-6-one

3-methyl-3-(methylamino)-7,8-dihydropyrrolo[3,4-b]azepin-6-one (PubChem CID 166848139) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-methyl-3-(methylamino)-7,8-dihydropyrrolo[3,4-b]azepin-6-one.

Molecular Properties

Compound Name3-methyl-3-(methylamino)-7,8-dihydropyrrolo[3,4-b]azepin-6-one
PubChem CID166848139
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-methyl-3-(methylamino)-7,8-dihydropyrrolo[3,4-b]azepin-6-one
SMILESCNC1(C)C=CC2=C(CNC2=O)N=C1
InChIInChI=1S/C10H13N3O/c1-10(11-2)4-3-7-8(13-6-10)5-12-9(7)14/h3-4,6,11H,5H2,1-2H3,(H,12,14)
InChIKeyMNXHEMSOUQEVGI-UHFFFAOYSA-N
XLogP-0.01
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(methylamino)-7,8-dihydropyrrolo[3,4-b]azepin-6-one?
The IUPAC name of 3-methyl-3-(methylamino)-7,8-dihydropyrrolo[3,4-b]azepin-6-one (CID 166848139) is 3-methyl-3-(methylamino)-7,8-dihydropyrrolo[3,4-b]azepin-6-one.
What is the SMILES notation for 3-methyl-3-(methylamino)-7,8-dihydropyrrolo[3,4-b]azepin-6-one?
The canonical SMILES for 3-methyl-3-(methylamino)-7,8-dihydropyrrolo[3,4-b]azepin-6-one is CNC1(C)C=CC2=C(CNC2=O)N=C1.
What is the InChIKey of 3-methyl-3-(methylamino)-7,8-dihydropyrrolo[3,4-b]azepin-6-one?
The InChIKey is MNXHEMSOUQEVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-10(11-2)4-3-7-8(13-6-10)5-12-9(7)14/h3-4,6,11H,5H2,1-2H3,(H,12,14).
What are the key properties of 3-methyl-3-(methylamino)-7,8-dihydropyrrolo[3,4-b]azepin-6-one?
3-methyl-3-(methylamino)-7,8-dihydropyrrolo[3,4-b]azepin-6-one has a molecular weight of 191.23 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(methylamino)-7,8-dihydropyrrolo[3,4-b]azepin-6-one is sourced from PubChem (CID 166848139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).