3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

C20H22N2O3 — CID 70713482

IUPAC3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESCOc1cccc(C2CCCN2C(=O)c2cc3c([nH]c2=O)CCC3)c1
InChIInChI=1S/C20H22N2O3/c1-25-15-7-2-6-14(11-15)18-9-4-10-22(18)20(24)16-12-13-5-3-8-17(13)21-19(16)23/h2,6-7,11-12,18H,3-5,8-10H2,1H3,(H,21,23)
InChIKeySMSYETLYFAEJFG-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.85
Rot. Bonds3

About 3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (PubChem CID 70713482) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
PubChem CID70713482
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESCOc1cccc(C2CCCN2C(=O)c2cc3c([nH]c2=O)CCC3)c1
InChIInChI=1S/C20H22N2O3/c1-25-15-7-2-6-14(11-15)18-9-4-10-22(18)20(24)16-12-13-5-3-8-17(13)21-19(16)23/h2,6-7,11-12,18H,3-5,8-10H2,1H3,(H,21,23)
InChIKeySMSYETLYFAEJFG-UHFFFAOYSA-N
XLogP2.85
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The IUPAC name of 3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (CID 70713482) is 3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is COc1cccc(C2CCCN2C(=O)c2cc3c([nH]c2=O)CCC3)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The InChIKey is SMSYETLYFAEJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-25-15-7-2-6-14(11-15)18-9-4-10-22(18)20(24)16-12-13-5-3-8-17(13)21-19(16)23/h2,6-7,11-12,18H,3-5,8-10H2,1H3,(H,21,23).
What are the key properties of 3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 70713482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).