7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

C14H15N3O — CID 11630500

IUPAC7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC1(C)CNC(=O)c2cc(-c3ccncc3)[nH]c21
InChIInChI=1S/C14H15N3O/c1-14(2)8-16-13(18)10-7-11(17-12(10)14)9-3-5-15-6-4-9/h3-7,17H,8H2,1-2H3,(H,16,18)
InChIKeyZFOONOHKCOMKKX-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.10
Rot. Bonds1

About 7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 11630500) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID11630500
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC1(C)CNC(=O)c2cc(-c3ccncc3)[nH]c21
InChIInChI=1S/C14H15N3O/c1-14(2)8-16-13(18)10-7-11(17-12(10)14)9-3-5-15-6-4-9/h3-7,17H,8H2,1-2H3,(H,16,18)
InChIKeyZFOONOHKCOMKKX-UHFFFAOYSA-N
XLogP2.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (CID 11630500) is 7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is CC1(C)CNC(=O)c2cc(-c3ccncc3)[nH]c21.
What is the InChIKey of 7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is ZFOONOHKCOMKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-14(2)8-16-13(18)10-7-11(17-12(10)14)9-3-5-15-6-4-9/h3-7,17H,8H2,1-2H3,(H,16,18).
What are the key properties of 7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 241.29 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 11630500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).