2,3-dihydro-1H-inden-2-yl prop-2-enoate;rhodium

C12H11O2Rh- — CID 163826036

IUPAC2,3-dihydro-1H-inden-2-yl prop-2-enoate;rhodium
SMILESC=[C-]C(=O)OC1Cc2ccccc2C1.[Rh]
InChIInChI=1S/C12H11O2.Rh/c1-2-12(13)14-11-7-9-5-3-4-6-10(9)8-11;/h3-6,11H,1,7-8H2;/q-1;
InChIKeyDKNXALRTGZKQIU-UHFFFAOYSA-N
MW290.12 g/mol
LogP1.68
Rot. Bonds2

About 2,3-dihydro-1H-inden-2-yl prop-2-enoate;rhodium

2,3-dihydro-1H-inden-2-yl prop-2-enoate;rhodium (PubChem CID 163826036) has the molecular formula C12H11O2Rh- and a molecular weight of 290.12 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl prop-2-enoate;rhodium.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl prop-2-enoate;rhodium
PubChem CID163826036
Molecular FormulaC12H11O2Rh-
Molecular Weight290.12 g/mol
Exact Mass289.98
IUPAC Name2,3-dihydro-1H-inden-2-yl prop-2-enoate;rhodium
SMILESC=[C-]C(=O)OC1Cc2ccccc2C1.[Rh]
InChIInChI=1S/C12H11O2.Rh/c1-2-12(13)14-11-7-9-5-3-4-6-10(9)8-11;/h3-6,11H,1,7-8H2;/q-1;
InChIKeyDKNXALRTGZKQIU-UHFFFAOYSA-N
XLogP1.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,3-dihydro-1H-inden-2-yloxy)pent-3-en-2-one
CID 145479052
2-(2,3-dihydro-1H-inden-2-yloxy)-2-oxoethanesulfonic acid
CID 121308546
[(8Z)-6-acetyloxy-5,6,7,10,11,12-hexahydrobenzo[10]annulen-11-yl] acetate
CID 11449504
2,3-dihydro-1H-inden-2-yl (E)-2-ethylbut-2-enoate
CID 174350360
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
O-(2,3-dihydro-1H-inden-2-yl)hydroxylamine
CID 68506766
(2R)-3-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-2,4-bis(2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 163249705
acetyl(2,3-dihydro-1H-inden-2-yloxy)phosphinic acid
CID 118298805
2,3-dihydro-1H-phenalen-2-yl 2-methylprop-2-enoate
CID 59310285
(4-hydroxy-2,3-dihydro-1H-inden-2-yl) acetate
CID 19782175
CID 174033948
CID 174033948

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl prop-2-enoate;rhodium?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl prop-2-enoate;rhodium (CID 163826036) is 2,3-dihydro-1H-inden-2-yl prop-2-enoate;rhodium.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl prop-2-enoate;rhodium?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl prop-2-enoate;rhodium is C=[C-]C(=O)OC1Cc2ccccc2C1.[Rh].
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl prop-2-enoate;rhodium?
The InChIKey is DKNXALRTGZKQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O2.Rh/c1-2-12(13)14-11-7-9-5-3-4-6-10(9)8-11;/h3-6,11H,1,7-8H2;/q-1;.
What are the key properties of 2,3-dihydro-1H-inden-2-yl prop-2-enoate;rhodium?
2,3-dihydro-1H-inden-2-yl prop-2-enoate;rhodium has a molecular weight of 290.12 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl prop-2-enoate;rhodium is sourced from PubChem (CID 163826036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).