ethyl 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate

C10H12N2O2 — CID 18953633

IUPACethyl 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate
SMILESCCOC(=O)N1Cc2ccncc2C1
InChIInChI=1S/C10H12N2O2/c1-2-14-10(13)12-6-8-3-4-11-5-9(8)7-12/h3-5H,2,6-7H2,1H3
InChIKeyNXDYQBHSITTWJS-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.55
Rot. Bonds1

About ethyl 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate

ethyl 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate (PubChem CID 18953633) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is ethyl 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate
PubChem CID18953633
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Nameethyl 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate
SMILESCCOC(=O)N1Cc2ccncc2C1
InChIInChI=1S/C10H12N2O2/c1-2-14-10(13)12-6-8-3-4-11-5-9(8)7-12/h3-5H,2,6-7H2,1H3
InChIKeyNXDYQBHSITTWJS-UHFFFAOYSA-N
XLogP1.55
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate (CID 18953633) is ethyl 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate is CCOC(=O)N1Cc2ccncc2C1.
What is the InChIKey of ethyl 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate?
The InChIKey is NXDYQBHSITTWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-14-10(13)12-6-8-3-4-11-5-9(8)7-12/h3-5H,2,6-7H2,1H3.
What are the key properties of ethyl 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate?
ethyl 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate has a molecular weight of 192.22 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate is sourced from PubChem (CID 18953633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).