(E)-3-(2,3-dihydro-1H-inden-2-yloxy)pent-3-en-2-one

C14H16O2 — CID 145479052

IUPAC(E)-3-(2,3-dihydro-1H-inden-2-yloxy)pent-3-en-2-one
SMILESC/C=C(/OC1Cc2ccccc2C1)C(C)=O
InChIInChI=1S/C14H16O2/c1-3-14(10(2)15)16-13-8-11-6-4-5-7-12(11)9-13/h3-7,13H,8-9H2,1-2H3/b14-3+
InChIKeyOGWIKMDXJLFRHG-LZWSPWQCSA-N
MW216.28 g/mol
LogP2.66
Rot. Bonds3

About (E)-3-(2,3-dihydro-1H-inden-2-yloxy)pent-3-en-2-one

(E)-3-(2,3-dihydro-1H-inden-2-yloxy)pent-3-en-2-one (PubChem CID 145479052) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (E)-3-(2,3-dihydro-1H-inden-2-yloxy)pent-3-en-2-one.

Molecular Properties

Compound Name(E)-3-(2,3-dihydro-1H-inden-2-yloxy)pent-3-en-2-one
PubChem CID145479052
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(E)-3-(2,3-dihydro-1H-inden-2-yloxy)pent-3-en-2-one
SMILESC/C=C(/OC1Cc2ccccc2C1)C(C)=O
InChIInChI=1S/C14H16O2/c1-3-14(10(2)15)16-13-8-11-6-4-5-7-12(11)9-13/h3-7,13H,8-9H2,1-2H3/b14-3+
InChIKeyOGWIKMDXJLFRHG-LZWSPWQCSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1H-inden-2-yl (E)-2-ethylbut-2-enoate
CID 174350360
[(8Z)-6-acetyloxy-5,6,7,10,11,12-hexahydrobenzo[10]annulen-11-yl] acetate
CID 11449504
(Z)-but-2-ene;2,3-dihydro-1H-inden-2-yl 4-oxopentanoate;3-methylthietane
CID 143324852
2,3-dihydro-1H-inden-2-yl prop-2-enoate;rhodium
CID 163826036
acetyl(2,3-dihydro-1H-inden-2-yloxy)phosphinic acid
CID 118298805
(4-hydroxy-2,3-dihydro-1H-inden-2-yl) acetate
CID 19782175
2-(2,3-dihydro-1H-inden-2-yloxy)-2-oxoethanesulfonic acid
CID 121308546
[(2R,3R)-3-sulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
CID 170177717
(1-ethyl-3,4-dihydro-2H-quinolin-3-yl) acetate
CID 174458357
2,3-dihydro-1H-phenalen-2-yl 2-methylprop-2-enoate
CID 59310285
2,3-dihydro-1H-inden-2-yl (1R)-2-phenylcyclobutane-1-carboxylate
CID 145368316
2,3-dihydro-1H-inden-2-yloxycarbonyl(hexyl)carbamic acid
CID 21259489

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dihydro-1H-inden-2-yloxy)pent-3-en-2-one?
The IUPAC name of (E)-3-(2,3-dihydro-1H-inden-2-yloxy)pent-3-en-2-one (CID 145479052) is (E)-3-(2,3-dihydro-1H-inden-2-yloxy)pent-3-en-2-one.
What is the SMILES notation for (E)-3-(2,3-dihydro-1H-inden-2-yloxy)pent-3-en-2-one?
The canonical SMILES for (E)-3-(2,3-dihydro-1H-inden-2-yloxy)pent-3-en-2-one is C/C=C(/OC1Cc2ccccc2C1)C(C)=O.
What is the InChIKey of (E)-3-(2,3-dihydro-1H-inden-2-yloxy)pent-3-en-2-one?
The InChIKey is OGWIKMDXJLFRHG-LZWSPWQCSA-N. The full InChI is InChI=1S/C14H16O2/c1-3-14(10(2)15)16-13-8-11-6-4-5-7-12(11)9-13/h3-7,13H,8-9H2,1-2H3/b14-3+.
What are the key properties of (E)-3-(2,3-dihydro-1H-inden-2-yloxy)pent-3-en-2-one?
(E)-3-(2,3-dihydro-1H-inden-2-yloxy)pent-3-en-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dihydro-1H-inden-2-yloxy)pent-3-en-2-one is sourced from PubChem (CID 145479052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).