2-prop-2-enyl-1H-pyrrolo[3,4-c]pyridin-3-one

C10H10N2O — CID 15941350

IUPAC2-prop-2-enyl-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESC=CCN1Cc2ccncc2C1=O
InChIInChI=1S/C10H10N2O/c1-2-5-12-7-8-3-4-11-6-9(8)10(12)13/h2-4,6H,1,5,7H2
InChIKeyIQHQJOHVXAZNMV-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.22
Rot. Bonds2

About 2-prop-2-enyl-1H-pyrrolo[3,4-c]pyridin-3-one

2-prop-2-enyl-1H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 15941350) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-prop-2-enyl-1H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-prop-2-enyl-1H-pyrrolo[3,4-c]pyridin-3-one
PubChem CID15941350
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-prop-2-enyl-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESC=CCN1Cc2ccncc2C1=O
InChIInChI=1S/C10H10N2O/c1-2-5-12-7-8-3-4-11-6-9(8)10(12)13/h2-4,6H,1,5,7H2
InChIKeyIQHQJOHVXAZNMV-UHFFFAOYSA-N
XLogP1.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-1H-pyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-prop-2-enyl-1H-pyrrolo[3,4-c]pyridin-3-one (CID 15941350) is 2-prop-2-enyl-1H-pyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-prop-2-enyl-1H-pyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-prop-2-enyl-1H-pyrrolo[3,4-c]pyridin-3-one is C=CCN1Cc2ccncc2C1=O.
What is the InChIKey of 2-prop-2-enyl-1H-pyrrolo[3,4-c]pyridin-3-one?
The InChIKey is IQHQJOHVXAZNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-2-5-12-7-8-3-4-11-6-9(8)10(12)13/h2-4,6H,1,5,7H2.
What are the key properties of 2-prop-2-enyl-1H-pyrrolo[3,4-c]pyridin-3-one?
2-prop-2-enyl-1H-pyrrolo[3,4-c]pyridin-3-one has a molecular weight of 174.20 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-1H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 15941350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).