(1Z)-1-(5-ethyl-1-benzofuran-3-ylidene)propan-2-one

C13H14O2 — CID 143395834

IUPAC(1Z)-1-(5-ethyl-1-benzofuran-3-ylidene)propan-2-one
SMILESCCc1ccc2c(c1)/C(=C/C(C)=O)CO2
InChIInChI=1S/C13H14O2/c1-3-10-4-5-13-12(7-10)11(8-15-13)6-9(2)14/h4-7H,3,8H2,1-2H3/b11-6+
InChIKeyPKOUVGHHLKVYDG-IZZDOVSWSA-N
MW202.25 g/mol
LogP2.61
Rot. Bonds2

About (1Z)-1-(5-ethyl-1-benzofuran-3-ylidene)propan-2-one

(1Z)-1-(5-ethyl-1-benzofuran-3-ylidene)propan-2-one (PubChem CID 143395834) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (1Z)-1-(5-ethyl-1-benzofuran-3-ylidene)propan-2-one.

Molecular Properties

Compound Name(1Z)-1-(5-ethyl-1-benzofuran-3-ylidene)propan-2-one
PubChem CID143395834
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(1Z)-1-(5-ethyl-1-benzofuran-3-ylidene)propan-2-one
SMILESCCc1ccc2c(c1)/C(=C/C(C)=O)CO2
InChIInChI=1S/C13H14O2/c1-3-10-4-5-13-12(7-10)11(8-15-13)6-9(2)14/h4-7H,3,8H2,1-2H3/b11-6+
InChIKeyPKOUVGHHLKVYDG-IZZDOVSWSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.61
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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Related Compounds

7-ethyl-5-hydroxy-1-benzoxepin-3-one
CID 143309880
6-ethyl-3-methylidenechromen-4-one
CID 82277870
(2E)-2-(6-ethyl-2,2-dimethyl-3H-chromen-4-ylidene)acetic acid
CID 82086114
2-ethyl-6H-benzo[c][1]benzoxepin-11-one
CID 13052208
2-(6-hexyl-4-oxochromen-3-ylidene)acetic acid
CID 139756017
6-ethyl-2,3-dihydro-1,3-benzoxazin-4-one
CID 89345906
(2Z)-2-(5,6-dimethyl-1-benzofuran-3-ylidene)acetic acid
CID 75366647
5-[(E)-4-(4-ethylphenyl)but-1-enyl]-1-benzofuran-3-one
CID 139329778
6-ethyl-3-methyl-2H-chromene
CID 143482553
(7Z)-11-ethyl-7-(3-methylbut-2-enylidene)-6H-naphtho[2,1-c]chromen-8-one
CID 157413475
(2E)-2-(7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
CID 84626078
2-(7-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetic acid
CID 70898644

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(5-ethyl-1-benzofuran-3-ylidene)propan-2-one?
The IUPAC name of (1Z)-1-(5-ethyl-1-benzofuran-3-ylidene)propan-2-one (CID 143395834) is (1Z)-1-(5-ethyl-1-benzofuran-3-ylidene)propan-2-one.
What is the SMILES notation for (1Z)-1-(5-ethyl-1-benzofuran-3-ylidene)propan-2-one?
The canonical SMILES for (1Z)-1-(5-ethyl-1-benzofuran-3-ylidene)propan-2-one is CCc1ccc2c(c1)/C(=C/C(C)=O)CO2.
What is the InChIKey of (1Z)-1-(5-ethyl-1-benzofuran-3-ylidene)propan-2-one?
The InChIKey is PKOUVGHHLKVYDG-IZZDOVSWSA-N. The full InChI is InChI=1S/C13H14O2/c1-3-10-4-5-13-12(7-10)11(8-15-13)6-9(2)14/h4-7H,3,8H2,1-2H3/b11-6+.
What are the key properties of (1Z)-1-(5-ethyl-1-benzofuran-3-ylidene)propan-2-one?
(1Z)-1-(5-ethyl-1-benzofuran-3-ylidene)propan-2-one has a molecular weight of 202.25 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(5-ethyl-1-benzofuran-3-ylidene)propan-2-one is sourced from PubChem (CID 143395834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).