(2E)-2,5-bis[(5-methylfuran-2-yl)methylidene]cyclopentan-1-one

C17H16O3 — CID 756948

IUPAC(2E)-2,5-bis[(5-methylfuran-2-yl)methylidene]cyclopentan-1-one
SMILESCc1ccc(C=C2CC/C(=C\c3ccc(C)o3)C2=O)o1
InChIInChI=1S/C17H16O3/c1-11-3-7-15(19-11)9-13-5-6-14(17(13)18)10-16-8-4-12(2)20-16/h3-4,7-10H,5-6H2,1-2H3/b13-9+,14-10?
InChIKeyQMFNMQZCEILUQX-HSPZGYKOSA-N
MW268.31 g/mol
LogP4.32
Rot. Bonds2

About (2E)-2,5-bis[(5-methylfuran-2-yl)methylidene]cyclopentan-1-one

(2E)-2,5-bis[(5-methylfuran-2-yl)methylidene]cyclopentan-1-one (PubChem CID 756948) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is (2E)-2,5-bis[(5-methylfuran-2-yl)methylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(2E)-2,5-bis[(5-methylfuran-2-yl)methylidene]cyclopentan-1-one
PubChem CID756948
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(2E)-2,5-bis[(5-methylfuran-2-yl)methylidene]cyclopentan-1-one
SMILESCc1ccc(C=C2CC/C(=C\c3ccc(C)o3)C2=O)o1
InChIInChI=1S/C17H16O3/c1-11-3-7-15(19-11)9-13-5-6-14(17(13)18)10-16-8-4-12(2)20-16/h3-4,7-10H,5-6H2,1-2H3/b13-9+,14-10?
InChIKeyQMFNMQZCEILUQX-HSPZGYKOSA-N
XLogP4.32
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E)-2,5-bis[(5-methylfuran-2-yl)methylidene]cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzylidene-6-[(5-methylfuran-2-yl)methylidene]cyclohexan-1-one
CID 71405402
(2Z)-4-methyl-2,6-bis[(5-methylfuran-2-yl)methylidene]cyclohexan-1-one
CID 704869
(3E)-1-benzyl-3,5-bis[(5-methylfuran-2-yl)methylidene]piperidin-4-one
CID 1036469
methyl 5-[(E)-[(3Z)-3-[(5-methoxycarbonylfuran-2-yl)methylidene]-2-oxocyclopentylidene]methyl]furan-2-carboxylate
CID 60612228
2,6-bis[(5-bromofuran-2-yl)methylidene]cyclohexan-1-one
CID 3469532
(4Z)-4-[(5-methylfuran-2-yl)methylidene]-2,3-dihydropyrrole
CID 91748330
2-imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 155899188
(2Z)-7,7-dimethyl-2-[(5-methylfuran-2-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromen-3-one
CID 171357605
chloromethane;5-methylfuran-2-carbaldehyde
CID 144843774
(2Z,6E)-2,6-bis[(5-bromofuran-2-yl)methylidene]-4-methylcyclohexan-1-one
CID 6369758
(2E,6E)-2,6-bis[[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methylidene]cyclohexan-1-one
CID 163302816
(5Z)-2-(azepan-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one
CID 21234651

Frequently Asked Questions

What is the IUPAC name of (2E)-2,5-bis[(5-methylfuran-2-yl)methylidene]cyclopentan-1-one?
The IUPAC name of (2E)-2,5-bis[(5-methylfuran-2-yl)methylidene]cyclopentan-1-one (CID 756948) is (2E)-2,5-bis[(5-methylfuran-2-yl)methylidene]cyclopentan-1-one.
What is the SMILES notation for (2E)-2,5-bis[(5-methylfuran-2-yl)methylidene]cyclopentan-1-one?
The canonical SMILES for (2E)-2,5-bis[(5-methylfuran-2-yl)methylidene]cyclopentan-1-one is Cc1ccc(C=C2CC/C(=C\c3ccc(C)o3)C2=O)o1.
What is the InChIKey of (2E)-2,5-bis[(5-methylfuran-2-yl)methylidene]cyclopentan-1-one?
The InChIKey is QMFNMQZCEILUQX-HSPZGYKOSA-N. The full InChI is InChI=1S/C17H16O3/c1-11-3-7-15(19-11)9-13-5-6-14(17(13)18)10-16-8-4-12(2)20-16/h3-4,7-10H,5-6H2,1-2H3/b13-9+,14-10?.
What are the key properties of (2E)-2,5-bis[(5-methylfuran-2-yl)methylidene]cyclopentan-1-one?
(2E)-2,5-bis[(5-methylfuran-2-yl)methylidene]cyclopentan-1-one has a molecular weight of 268.31 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2,5-bis[(5-methylfuran-2-yl)methylidene]cyclopentan-1-one is sourced from PubChem (CID 756948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).