(2Z)-2-(3-methoxy-6,7-dihydrocyclopenta[c]pyridin-5-ylidene)acetic acid

C11H11NO3 — CID 155338382

IUPAC(2Z)-2-(3-methoxy-6,7-dihydrocyclopenta[c]pyridin-5-ylidene)acetic acid
SMILESCOc1cc2c(cn1)CC/C2=C/C(=O)O
InChIInChI=1S/C11H11NO3/c1-15-10-5-9-7(4-11(13)14)2-3-8(9)6-12-10/h4-6H,2-3H2,1H3,(H,13,14)/b7-4-
InChIKeyJIUWGQKKDCYSFE-DAXSKMNVSA-N
MW205.21 g/mol
LogP1.50
Rot. Bonds2

About (2Z)-2-(3-methoxy-6,7-dihydrocyclopenta[c]pyridin-5-ylidene)acetic acid

(2Z)-2-(3-methoxy-6,7-dihydrocyclopenta[c]pyridin-5-ylidene)acetic acid (PubChem CID 155338382) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (2Z)-2-(3-methoxy-6,7-dihydrocyclopenta[c]pyridin-5-ylidene)acetic acid.

Molecular Properties

Compound Name(2Z)-2-(3-methoxy-6,7-dihydrocyclopenta[c]pyridin-5-ylidene)acetic acid
PubChem CID155338382
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(2Z)-2-(3-methoxy-6,7-dihydrocyclopenta[c]pyridin-5-ylidene)acetic acid
SMILESCOc1cc2c(cn1)CC/C2=C/C(=O)O
InChIInChI=1S/C11H11NO3/c1-15-10-5-9-7(4-11(13)14)2-3-8(9)6-12-10/h4-6H,2-3H2,1H3,(H,13,14)/b7-4-
InChIKeyJIUWGQKKDCYSFE-DAXSKMNVSA-N
XLogP1.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3-methoxy-6,7-dihydrocyclopenta[c]pyridin-5-ylidene)acetic acid?
The IUPAC name of (2Z)-2-(3-methoxy-6,7-dihydrocyclopenta[c]pyridin-5-ylidene)acetic acid (CID 155338382) is (2Z)-2-(3-methoxy-6,7-dihydrocyclopenta[c]pyridin-5-ylidene)acetic acid.
What is the SMILES notation for (2Z)-2-(3-methoxy-6,7-dihydrocyclopenta[c]pyridin-5-ylidene)acetic acid?
The canonical SMILES for (2Z)-2-(3-methoxy-6,7-dihydrocyclopenta[c]pyridin-5-ylidene)acetic acid is COc1cc2c(cn1)CC/C2=C/C(=O)O.
What is the InChIKey of (2Z)-2-(3-methoxy-6,7-dihydrocyclopenta[c]pyridin-5-ylidene)acetic acid?
The InChIKey is JIUWGQKKDCYSFE-DAXSKMNVSA-N. The full InChI is InChI=1S/C11H11NO3/c1-15-10-5-9-7(4-11(13)14)2-3-8(9)6-12-10/h4-6H,2-3H2,1H3,(H,13,14)/b7-4-.
What are the key properties of (2Z)-2-(3-methoxy-6,7-dihydrocyclopenta[c]pyridin-5-ylidene)acetic acid?
(2Z)-2-(3-methoxy-6,7-dihydrocyclopenta[c]pyridin-5-ylidene)acetic acid has a molecular weight of 205.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3-methoxy-6,7-dihydrocyclopenta[c]pyridin-5-ylidene)acetic acid is sourced from PubChem (CID 155338382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).