(E)-3-(furan-2-yl)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one

C13H11NO2 — CID 5376055

IUPAC(E)-3-(furan-2-yl)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C/c2ccco2)cn1
InChIInChI=1S/C13H11NO2/c1-10-4-5-11(9-14-10)13(15)7-6-12-3-2-8-16-12/h2-9H,1H3/b7-6+
InChIKeyAVVFEEWSKMXIOI-VOTSOKGWSA-N
MW213.24 g/mol
LogP2.88
Rot. Bonds3

About (E)-3-(furan-2-yl)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one

(E)-3-(furan-2-yl)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one (PubChem CID 5376055) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one
PubChem CID5376055
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name(E)-3-(furan-2-yl)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C/c2ccco2)cn1
InChIInChI=1S/C13H11NO2/c1-10-4-5-11(9-14-10)13(15)7-6-12-3-2-8-16-12/h2-9H,1H3/b7-6+
InChIKeyAVVFEEWSKMXIOI-VOTSOKGWSA-N
XLogP2.88
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 2859153
(Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 11550283
(E)-3-(furan-2-yl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 11842503
1-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 5219870
1-[4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one
CID 75093801
[4-bromo-2-[(E)-[(6-methylpyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 41290558
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
CID 59090942
CID 59090942
(E)-1-[4-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one
CID 44520468
methyl 2-[3-(furan-2-yl)prop-2-enoyl]pyridine-4-carboxylate
CID 144590992
(E)-3-(furan-2-yl)-1-(2-methylcyclohexen-1-yl)prop-2-en-1-one
CID 71560535
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(furan-2-yl)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one (CID 5376055) is (E)-3-(furan-2-yl)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-2-yl)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-2-yl)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one is Cc1ccc(C(=O)/C=C/c2ccco2)cn1.
What is the InChIKey of (E)-3-(furan-2-yl)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one?
The InChIKey is AVVFEEWSKMXIOI-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H11NO2/c1-10-4-5-11(9-14-10)13(15)7-6-12-3-2-8-16-12/h2-9H,1H3/b7-6+.
What are the key properties of (E)-3-(furan-2-yl)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one?
(E)-3-(furan-2-yl)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one has a molecular weight of 213.24 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one is sourced from PubChem (CID 5376055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).