N-(2-methoxyprop-2-enyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C12H15N3O2 — CID 145346928

IUPACN-(2-methoxyprop-2-enyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESC=C(CNC(=O)N1Cc2ccncc2C1)OC
InChIInChI=1S/C12H15N3O2/c1-9(17-2)5-14-12(16)15-7-10-3-4-13-6-11(10)8-15/h3-4,6H,1,5,7-8H2,2H3,(H,14,16)
InChIKeyDVGJWYFXRSQEDU-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.27
Rot. Bonds3

About N-(2-methoxyprop-2-enyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-(2-methoxyprop-2-enyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 145346928) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(2-methoxyprop-2-enyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyprop-2-enyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID145346928
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(2-methoxyprop-2-enyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESC=C(CNC(=O)N1Cc2ccncc2C1)OC
InChIInChI=1S/C12H15N3O2/c1-9(17-2)5-14-12(16)15-7-10-3-4-13-6-11(10)8-15/h3-4,6H,1,5,7-8H2,2H3,(H,14,16)
InChIKeyDVGJWYFXRSQEDU-UHFFFAOYSA-N
XLogP1.27
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyprop-2-enyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-(2-methoxyprop-2-enyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 145346928) is N-(2-methoxyprop-2-enyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyprop-2-enyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxyprop-2-enyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is C=C(CNC(=O)N1Cc2ccncc2C1)OC.
What is the InChIKey of N-(2-methoxyprop-2-enyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is DVGJWYFXRSQEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9(17-2)5-14-12(16)15-7-10-3-4-13-6-11(10)8-15/h3-4,6H,1,5,7-8H2,2H3,(H,14,16).
What are the key properties of N-(2-methoxyprop-2-enyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-(2-methoxyprop-2-enyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyprop-2-enyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 145346928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).