ethyl 1,6-dimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxylate

C12H18N2O2 — CID 58117012

IUPACethyl 1,6-dimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(n1C)CN(C)CC2
InChIInChI=1S/C12H18N2O2/c1-4-16-12(15)10-7-9-5-6-13(2)8-11(9)14(10)3/h7H,4-6,8H2,1-3H3
InChIKeyIOVXQINNDUVKKA-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.19
Rot. Bonds2

About ethyl 1,6-dimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxylate

ethyl 1,6-dimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxylate (PubChem CID 58117012) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is ethyl 1,6-dimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1,6-dimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxylate
PubChem CID58117012
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nameethyl 1,6-dimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(n1C)CN(C)CC2
InChIInChI=1S/C12H18N2O2/c1-4-16-12(15)10-7-9-5-6-13(2)8-11(9)14(10)3/h7H,4-6,8H2,1-3H3
InChIKeyIOVXQINNDUVKKA-UHFFFAOYSA-N
XLogP1.19
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,6-dimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 1,6-dimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxylate (CID 58117012) is ethyl 1,6-dimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 1,6-dimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 1,6-dimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxylate is CCOC(=O)c1cc2c(n1C)CN(C)CC2.
What is the InChIKey of ethyl 1,6-dimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxylate?
The InChIKey is IOVXQINNDUVKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-16-12(15)10-7-9-5-6-13(2)8-11(9)14(10)3/h7H,4-6,8H2,1-3H3.
What are the key properties of ethyl 1,6-dimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxylate?
ethyl 1,6-dimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxylate has a molecular weight of 222.29 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,6-dimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 58117012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).