(3Z)-3-ethylidene-4,5,6,7-tetrahydro-2-benzofuran-1-one

C10H12O2 — CID 166478823

IUPAC(3Z)-3-ethylidene-4,5,6,7-tetrahydro-2-benzofuran-1-one
SMILESC/C=C1\OC(=O)C2=C1CCCC2
InChIInChI=1S/C10H12O2/c1-2-9-7-5-3-4-6-8(7)10(11)12-9/h2H,3-6H2,1H3/b9-2-
InChIKeyBCTNKGQJUODQOL-MBXJOHMKSA-N
MW164.20 g/mol
LogP2.32
Rot. Bonds

About (3Z)-3-ethylidene-4,5,6,7-tetrahydro-2-benzofuran-1-one

(3Z)-3-ethylidene-4,5,6,7-tetrahydro-2-benzofuran-1-one (PubChem CID 166478823) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (3Z)-3-ethylidene-4,5,6,7-tetrahydro-2-benzofuran-1-one.

Molecular Properties

Compound Name(3Z)-3-ethylidene-4,5,6,7-tetrahydro-2-benzofuran-1-one
PubChem CID166478823
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(3Z)-3-ethylidene-4,5,6,7-tetrahydro-2-benzofuran-1-one
SMILESC/C=C1\OC(=O)C2=C1CCCC2
InChIInChI=1S/C10H12O2/c1-2-9-7-5-3-4-6-8(7)10(11)12-9/h2H,3-6H2,1H3/b9-2-
InChIKeyBCTNKGQJUODQOL-MBXJOHMKSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

palladium(2+);4,5,6,7-tetrahydro-2-benzofuran-1,3-dione;dichloride
CID 173401083
3-methylimino-4,5,6,7-tetrahydro-2-benzofuran-1-one
CID 59947083
(3Z)-3-[(2-bromo-4-pyridinyl)methylidene]-4,5,6,7-tetrahydro-2-benzofuran-1-one
CID 87671069
(3Z)-3-[(3-aminophenyl)methylidene]-4,5,6,7-tetrahydro-2-benzofuran-1-one
CID 59755758
3-oxabicyclo[3.2.0]hept-1(5)-ene-2,4-dione
CID 18413762
(4Z)-4-ethylidenedioxetan-3-one
CID 142713844
2-fluoro-5-[(3-oxo-4,5,6,7-tetrahydro-2-benzofuran-1-ylidene)methyl]benzonitrile
CID 69043442
4-methyl-2-benzofuran-1,3-dione;4,5,6,7-tetrahydro-2-benzofuran-1,3-dione
CID 175457113
7-ethylidenefuro[3,4-e][1,2,4]triazin-5-one
CID 77389948
3-[(2-bromo-3-pyridinyl)methylidene]-4,5,6,7-tetrahydro-2-benzofuran-1-one;2-fluoro-5-formylbenzonitrile
CID 160668525
1,3-bis(trimethylsilyl)-5,6-dihydro-4H-pentalen-2-one
CID 10982328
1,3-bis[tert-butyl(dimethyl)silyl]-4,5,6,7-tetrahydroinden-2-one
CID 102444280

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-4,5,6,7-tetrahydro-2-benzofuran-1-one?
The IUPAC name of (3Z)-3-ethylidene-4,5,6,7-tetrahydro-2-benzofuran-1-one (CID 166478823) is (3Z)-3-ethylidene-4,5,6,7-tetrahydro-2-benzofuran-1-one.
What is the SMILES notation for (3Z)-3-ethylidene-4,5,6,7-tetrahydro-2-benzofuran-1-one?
The canonical SMILES for (3Z)-3-ethylidene-4,5,6,7-tetrahydro-2-benzofuran-1-one is C/C=C1\OC(=O)C2=C1CCCC2.
What is the InChIKey of (3Z)-3-ethylidene-4,5,6,7-tetrahydro-2-benzofuran-1-one?
The InChIKey is BCTNKGQJUODQOL-MBXJOHMKSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-9-7-5-3-4-6-8(7)10(11)12-9/h2H,3-6H2,1H3/b9-2-.
What are the key properties of (3Z)-3-ethylidene-4,5,6,7-tetrahydro-2-benzofuran-1-one?
(3Z)-3-ethylidene-4,5,6,7-tetrahydro-2-benzofuran-1-one has a molecular weight of 164.20 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-4,5,6,7-tetrahydro-2-benzofuran-1-one is sourced from PubChem (CID 166478823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).