ethyl 4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate

C17H17NO3 — CID 44581810

IUPACethyl 4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1ncc2c(c1COC)-c1ccccc1C2
InChIInChI=1S/C17H17NO3/c1-3-21-17(19)16-14(10-20-2)15-12(9-18-16)8-11-6-4-5-7-13(11)15/h4-7,9H,3,8,10H2,1-2H3
InChIKeyXXLGXWULTMLPAN-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.98
Rot. Bonds4

About ethyl 4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate

ethyl 4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate (PubChem CID 44581810) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate
PubChem CID44581810
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Nameethyl 4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1ncc2c(c1COC)-c1ccccc1C2
InChIInChI=1S/C17H17NO3/c1-3-21-17(19)16-14(10-20-2)15-12(9-18-16)8-11-6-4-5-7-13(11)15/h4-7,9H,3,8,10H2,1-2H3
InChIKeyXXLGXWULTMLPAN-UHFFFAOYSA-N
XLogP2.98
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate (CID 44581810) is ethyl 4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate is CCOC(=O)c1ncc2c(c1COC)-c1ccccc1C2.
What is the InChIKey of ethyl 4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate?
The InChIKey is XXLGXWULTMLPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-21-17(19)16-14(10-20-2)15-12(9-18-16)8-11-6-4-5-7-13(11)15/h4-7,9H,3,8,10H2,1-2H3.
What are the key properties of ethyl 4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate?
ethyl 4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate is sourced from PubChem (CID 44581810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).