6-butyl-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one

C13H20N2O — CID 118169726

IUPAC6-butyl-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one
SMILESCCCCn1cc2c(cc1=O)C(C)(C)CN2
InChIInChI=1S/C13H20N2O/c1-4-5-6-15-8-11-10(7-12(15)16)13(2,3)9-14-11/h7-8,14H,4-6,9H2,1-3H3
InChIKeyADPDVCGKWNEBED-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.35
Rot. Bonds3

About 6-butyl-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one

6-butyl-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one (PubChem CID 118169726) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 6-butyl-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one.

Molecular Properties

Compound Name6-butyl-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one
PubChem CID118169726
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name6-butyl-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one
SMILESCCCCn1cc2c(cc1=O)C(C)(C)CN2
InChIInChI=1S/C13H20N2O/c1-4-5-6-15-8-11-10(7-12(15)16)13(2,3)9-14-11/h7-8,14H,4-6,9H2,1-3H3
InChIKeyADPDVCGKWNEBED-UHFFFAOYSA-N
XLogP2.35
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one?
The IUPAC name of 6-butyl-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one (CID 118169726) is 6-butyl-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one.
What is the SMILES notation for 6-butyl-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one?
The canonical SMILES for 6-butyl-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one is CCCCn1cc2c(cc1=O)C(C)(C)CN2.
What is the InChIKey of 6-butyl-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one?
The InChIKey is ADPDVCGKWNEBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-5-6-15-8-11-10(7-12(15)16)13(2,3)9-14-11/h7-8,14H,4-6,9H2,1-3H3.
What are the key properties of 6-butyl-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one?
6-butyl-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one has a molecular weight of 220.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one is sourced from PubChem (CID 118169726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).