2-prop-1-en-2-yl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one

C11H14O2 — CID 11378833

IUPAC2-prop-1-en-2-yl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
SMILESC=C(C)C1CC2=C(CCCC2=O)O1
InChIInChI=1S/C11H14O2/c1-7(2)11-6-8-9(12)4-3-5-10(8)13-11/h11H,1,3-6H2,2H3
InChIKeyHKXZQNALGZBHDT-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.36
Rot. Bonds1

About 2-prop-1-en-2-yl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one

2-prop-1-en-2-yl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one (PubChem CID 11378833) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-prop-1-en-2-yl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one.

Molecular Properties

Compound Name2-prop-1-en-2-yl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
PubChem CID11378833
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-prop-1-en-2-yl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
SMILESC=C(C)C1CC2=C(CCCC2=O)O1
InChIInChI=1S/C11H14O2/c1-7(2)11-6-8-9(12)4-3-5-10(8)13-11/h11H,1,3-6H2,2H3
InChIKeyHKXZQNALGZBHDT-UHFFFAOYSA-N
XLogP2.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,5,6,7-Hexahydro-1-benzofuran-4-one
CID 15618900
6,6-Dimethyl-2-vinyl-2,3,4,5,6,7-hexahydrobenzo[b]furan-4-one
CID 12717494
(2R)-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one
CID 16220370
2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one
CID 102385261
2-butyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
CID 132536555
Ndcvazwadyvsgz-uhfffaoysa-
CID 10796915
3-methylidene-6,7-dihydro-5H-1-benzofuran-4-one
CID 11040864
2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
CID 13720822
2,2-dimethyl-3-methylidene-6,7-dihydro-4H-cyclopenta[b]pyran-5-one
CID 130031285
(5aS,9aS)-7-methyl-3,4,5a,8,9,9a-hexahydro-2H-dibenzofuran-1-one
CID 132521072
(2E)-6-methoxy-2-(prop-2-enoxymethylidene)-4,5,6,7-tetrahydro-3H-inden-1-one
CID 141533662
CID 141879373
CID 141879373

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-yl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
The IUPAC name of 2-prop-1-en-2-yl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one (CID 11378833) is 2-prop-1-en-2-yl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one.
What is the SMILES notation for 2-prop-1-en-2-yl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
The canonical SMILES for 2-prop-1-en-2-yl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one is C=C(C)C1CC2=C(CCCC2=O)O1.
What is the InChIKey of 2-prop-1-en-2-yl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
The InChIKey is HKXZQNALGZBHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-7(2)11-6-8-9(12)4-3-5-10(8)13-11/h11H,1,3-6H2,2H3.
What are the key properties of 2-prop-1-en-2-yl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
2-prop-1-en-2-yl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one has a molecular weight of 178.23 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one is sourced from PubChem (CID 11378833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).