(Z)-1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylbut-2-en-1-one

C15H18O2 — CID 103447275

IUPAC(Z)-1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylbut-2-en-1-one
SMILESC/C=C(/CC)C(=O)c1cccc2c1OCCC2
InChIInChI=1S/C15H18O2/c1-3-11(4-2)14(16)13-9-5-7-12-8-6-10-17-15(12)13/h3,5,7,9H,4,6,8,10H2,1-2H3/b11-3-
InChIKeyYIPRQCDKXQUCLS-JYOAFUTRSA-N
MW230.31 g/mol
LogP3.55
Rot. Bonds3

About (Z)-1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylbut-2-en-1-one

(Z)-1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylbut-2-en-1-one (PubChem CID 103447275) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (Z)-1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylbut-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylbut-2-en-1-one
PubChem CID103447275
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(Z)-1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylbut-2-en-1-one
SMILESC/C=C(/CC)C(=O)c1cccc2c1OCCC2
InChIInChI=1S/C15H18O2/c1-3-11(4-2)14(16)13-9-5-7-12-8-6-10-17-15(12)13/h3,5,7,9H,4,6,8,10H2,1-2H3/b11-3-
InChIKeyYIPRQCDKXQUCLS-JYOAFUTRSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.55
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

(E)-1-(3,4-dihydro-2H-chromen-8-yl)pent-2-en-1-one
CID 103454118
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one
CID 114748089
2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-one
CID 114747981
1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one
CID 105133620
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone
CID 114744040
2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 114747793
(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 115811284
3,4-dihydro-2H-chromen-8-yl-(4-propylmorpholin-2-yl)methanone
CID 114744267
1-(3,4-dihydro-2H-chromen-8-yl)-2-(3-methylphenyl)sulfanylethanone
CID 114744206
1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 114747898
1-(3,4-dihydro-2H-chromen-8-yl)-2-(prop-2-ynylamino)ethanone
CID 114747975

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylbut-2-en-1-one?
The IUPAC name of (Z)-1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylbut-2-en-1-one (CID 103447275) is (Z)-1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylbut-2-en-1-one.
What is the SMILES notation for (Z)-1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylbut-2-en-1-one?
The canonical SMILES for (Z)-1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylbut-2-en-1-one is C/C=C(/CC)C(=O)c1cccc2c1OCCC2.
What is the InChIKey of (Z)-1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylbut-2-en-1-one?
The InChIKey is YIPRQCDKXQUCLS-JYOAFUTRSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-11(4-2)14(16)13-9-5-7-12-8-6-10-17-15(12)13/h3,5,7,9H,4,6,8,10H2,1-2H3/b11-3-.
What are the key properties of (Z)-1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylbut-2-en-1-one?
(Z)-1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylbut-2-en-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylbut-2-en-1-one is sourced from PubChem (CID 103447275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).