3-but-3-enyl-2,3-dihydrochromen-4-one

C13H14O2 — CID 10536113

IUPAC3-but-3-enyl-2,3-dihydrochromen-4-one
SMILESC=CCCC1COc2ccccc2C1=O
InChIInChI=1S/C13H14O2/c1-2-3-6-10-9-15-12-8-5-4-7-11(12)13(10)14/h2,4-5,7-8,10H,1,3,6,9H2
InChIKeyOKJOVJBXSFFDTK-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.84
Rot. Bonds3

About 3-but-3-enyl-2,3-dihydrochromen-4-one

3-but-3-enyl-2,3-dihydrochromen-4-one (PubChem CID 10536113) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-but-3-enyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-but-3-enyl-2,3-dihydrochromen-4-one
PubChem CID10536113
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name3-but-3-enyl-2,3-dihydrochromen-4-one
SMILESC=CCCC1COc2ccccc2C1=O
InChIInChI=1S/C13H14O2/c1-2-3-6-10-9-15-12-8-5-4-7-11(12)13(10)14/h2,4-5,7-8,10H,1,3,6,9H2
InChIKeyOKJOVJBXSFFDTK-UHFFFAOYSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-but-3-enyl-2,3-dihydrochromen-4-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

(3S)-3-prop-2-enyl-2,3-dihydrochromen-4-one
CID 177402596
3-(3-oxobutyl)-2,3-dihydrochromen-4-one
CID 23465810
dimethyl-[[(3S)-4-oxo-2,3-dihydrochromen-3-yl]methyl]azanium
CID 7210424
3-[2-[cyclohexylmethyl(methyl)amino]ethyl]-2,3-dihydrochromen-4-one;hydrochloride
CID 67849593
3-(1,3-dihydroisoindol-2-yloxymethyl)-2,3-dihydrochromen-4-one
CID 175746441
(3S)-3-[(2-phenylethylamino)methyl]-2,3-dihydrochromen-4-one
CID 97355769
S-ethyl 2-(4-oxo-2,3-dihydrochromen-3-yl)ethanethioate
CID 135006550
3-[2-(4-butylpiperidin-1-yl)ethyl]-2,3-dihydrochromen-4-one
CID 18626363
(3S)-3-(butylsulfonylmethyl)-2,3-dihydrochromen-4-one
CID 164665785
3-hydroxysulfanyl-2,3-dihydrochromen-4-one
CID 57186431
3-cyclopropyl-2,3-dihydrochromen-4-one
CID 69056913
(3S)-3-phenyl-2,3-dihydrochromen-4-one
CID 6928388

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-2,3-dihydrochromen-4-one?
The IUPAC name of 3-but-3-enyl-2,3-dihydrochromen-4-one (CID 10536113) is 3-but-3-enyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-but-3-enyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-but-3-enyl-2,3-dihydrochromen-4-one is C=CCCC1COc2ccccc2C1=O.
What is the InChIKey of 3-but-3-enyl-2,3-dihydrochromen-4-one?
The InChIKey is OKJOVJBXSFFDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-3-6-10-9-15-12-8-5-4-7-11(12)13(10)14/h2,4-5,7-8,10H,1,3,6,9H2.
What are the key properties of 3-but-3-enyl-2,3-dihydrochromen-4-one?
3-but-3-enyl-2,3-dihydrochromen-4-one has a molecular weight of 202.25 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 10536113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).