[(7aS)-3a,7a-dihydro-3H-1-benzofuran-2-ylidene]methanone

C9H8O2 — CID 57305562

IUPAC[(7aS)-3a,7a-dihydro-3H-1-benzofuran-2-ylidene]methanone
SMILESO=C=C1CC2C=CC=C[C@@H]2O1
InChIInChI=1S/C9H8O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4,7,9H,5H2/t7?,9-/m0/s1
InChIKeyHZEPTWANNUXIDO-NETXQHHPSA-N
MW148.16 g/mol
LogP1.23
Rot. Bonds

About [(7aS)-3a,7a-dihydro-3H-1-benzofuran-2-ylidene]methanone

[(7aS)-3a,7a-dihydro-3H-1-benzofuran-2-ylidene]methanone (PubChem CID 57305562) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is [(7aS)-3a,7a-dihydro-3H-1-benzofuran-2-ylidene]methanone.

Molecular Properties

Compound Name[(7aS)-3a,7a-dihydro-3H-1-benzofuran-2-ylidene]methanone
PubChem CID57305562
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name[(7aS)-3a,7a-dihydro-3H-1-benzofuran-2-ylidene]methanone
SMILESO=C=C1CC2C=CC=C[C@@H]2O1
InChIInChI=1S/C9H8O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4,7,9H,5H2/t7?,9-/m0/s1
InChIKeyHZEPTWANNUXIDO-NETXQHHPSA-N
XLogP1.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(7aS)-3a,7a-dihydro-3H-1-benzofuran-2-ylidene]methanone?
The IUPAC name of [(7aS)-3a,7a-dihydro-3H-1-benzofuran-2-ylidene]methanone (CID 57305562) is [(7aS)-3a,7a-dihydro-3H-1-benzofuran-2-ylidene]methanone.
What is the SMILES notation for [(7aS)-3a,7a-dihydro-3H-1-benzofuran-2-ylidene]methanone?
The canonical SMILES for [(7aS)-3a,7a-dihydro-3H-1-benzofuran-2-ylidene]methanone is O=C=C1CC2C=CC=C[C@@H]2O1.
What is the InChIKey of [(7aS)-3a,7a-dihydro-3H-1-benzofuran-2-ylidene]methanone?
The InChIKey is HZEPTWANNUXIDO-NETXQHHPSA-N. The full InChI is InChI=1S/C9H8O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4,7,9H,5H2/t7?,9-/m0/s1.
What are the key properties of [(7aS)-3a,7a-dihydro-3H-1-benzofuran-2-ylidene]methanone?
[(7aS)-3a,7a-dihydro-3H-1-benzofuran-2-ylidene]methanone has a molecular weight of 148.16 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(7aS)-3a,7a-dihydro-3H-1-benzofuran-2-ylidene]methanone is sourced from PubChem (CID 57305562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).