methyl 7-amino-5,6-dihydrocyclopenta[b]pyridine-7-carboxylate

C10H12N2O2 — CID 83907472

IUPACmethyl 7-amino-5,6-dihydrocyclopenta[b]pyridine-7-carboxylate
SMILESCOC(=O)C1(N)CCc2cccnc21
InChIInChI=1S/C10H12N2O2/c1-14-9(13)10(11)5-4-7-3-2-6-12-8(7)10/h2-3,6H,4-5,11H2,1H3
InChIKeyKXIPJWBMWLIZPK-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.35
Rot. Bonds1

About methyl 7-amino-5,6-dihydrocyclopenta[b]pyridine-7-carboxylate

methyl 7-amino-5,6-dihydrocyclopenta[b]pyridine-7-carboxylate (PubChem CID 83907472) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is methyl 7-amino-5,6-dihydrocyclopenta[b]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 7-amino-5,6-dihydrocyclopenta[b]pyridine-7-carboxylate
PubChem CID83907472
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Namemethyl 7-amino-5,6-dihydrocyclopenta[b]pyridine-7-carboxylate
SMILESCOC(=O)C1(N)CCc2cccnc21
InChIInChI=1S/C10H12N2O2/c1-14-9(13)10(11)5-4-7-3-2-6-12-8(7)10/h2-3,6H,4-5,11H2,1H3
InChIKeyKXIPJWBMWLIZPK-UHFFFAOYSA-N
XLogP0.35
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 7-amino-5,6-dihydrocyclopenta[b]pyridine-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 7-amino-5,6-dihydrocyclopenta[b]pyridine-7-carboxylate?
The IUPAC name of methyl 7-amino-5,6-dihydrocyclopenta[b]pyridine-7-carboxylate (CID 83907472) is methyl 7-amino-5,6-dihydrocyclopenta[b]pyridine-7-carboxylate.
What is the SMILES notation for methyl 7-amino-5,6-dihydrocyclopenta[b]pyridine-7-carboxylate?
The canonical SMILES for methyl 7-amino-5,6-dihydrocyclopenta[b]pyridine-7-carboxylate is COC(=O)C1(N)CCc2cccnc21.
What is the InChIKey of methyl 7-amino-5,6-dihydrocyclopenta[b]pyridine-7-carboxylate?
The InChIKey is KXIPJWBMWLIZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-14-9(13)10(11)5-4-7-3-2-6-12-8(7)10/h2-3,6H,4-5,11H2,1H3.
What are the key properties of methyl 7-amino-5,6-dihydrocyclopenta[b]pyridine-7-carboxylate?
methyl 7-amino-5,6-dihydrocyclopenta[b]pyridine-7-carboxylate has a molecular weight of 192.22 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-amino-5,6-dihydrocyclopenta[b]pyridine-7-carboxylate is sourced from PubChem (CID 83907472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).