(7Z)-7-ethylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one

C10H12O2 — CID 101096712

IUPAC(7Z)-7-ethylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one
SMILESC/C=C1\C(=O)C=C2CCCOC21
InChIInChI=1S/C10H12O2/c1-2-8-9(11)6-7-4-3-5-12-10(7)8/h2,6,10H,3-5H2,1H3/b8-2+
InChIKeyPGQMPSAQKIYQIV-KRXBUXKQSA-N
MW164.20 g/mol
LogP1.62
Rot. Bonds

About (7Z)-7-ethylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one

(7Z)-7-ethylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one (PubChem CID 101096712) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (7Z)-7-ethylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one.

Molecular Properties

Compound Name(7Z)-7-ethylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one
PubChem CID101096712
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(7Z)-7-ethylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one
SMILESC/C=C1\C(=O)C=C2CCCOC21
InChIInChI=1S/C10H12O2/c1-2-8-9(11)6-7-4-3-5-12-10(7)8/h2,6,10H,3-5H2,1H3/b8-2+
InChIKeyPGQMPSAQKIYQIV-KRXBUXKQSA-N
XLogP1.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (7Z)-7-ethylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one?
The IUPAC name of (7Z)-7-ethylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one (CID 101096712) is (7Z)-7-ethylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one.
What is the SMILES notation for (7Z)-7-ethylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one?
The canonical SMILES for (7Z)-7-ethylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one is C/C=C1\C(=O)C=C2CCCOC21.
What is the InChIKey of (7Z)-7-ethylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one?
The InChIKey is PGQMPSAQKIYQIV-KRXBUXKQSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-8-9(11)6-7-4-3-5-12-10(7)8/h2,6,10H,3-5H2,1H3/b8-2+.
What are the key properties of (7Z)-7-ethylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one?
(7Z)-7-ethylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one has a molecular weight of 164.20 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-ethylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one is sourced from PubChem (CID 101096712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).