1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone

C15H14N2O — CID 116833026

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone
SMILESO=C(Cc1ncccn1)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H14N2O/c18-14(10-15-16-7-2-8-17-15)13-6-5-11-3-1-4-12(11)9-13/h2,5-9H,1,3-4,10H2
InChIKeyWDMMVISQTIXONR-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.39
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone

1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone (PubChem CID 116833026) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone
PubChem CID116833026
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone
SMILESO=C(Cc1ncccn1)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H14N2O/c18-14(10-15-16-7-2-8-17-15)13-6-5-11-3-1-4-12(11)9-13/h2,5-9H,1,3-4,10H2
InChIKeyWDMMVISQTIXONR-UHFFFAOYSA-N
XLogP2.39
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one
CID 116833046
2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 116826135
2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 107311672
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
2-(3,4-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490584
1-(2,3-dihydro-1H-inden-5-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826276
1-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione
CID 30868633
1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione
CID 82115674
1-(2,3-dihydro-1H-inden-5-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63491461
1-[2-(aminomethyl)-4-pyridinyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 116601932
2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 115797451
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate
CID 55702110

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone (CID 116833026) is 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone is O=C(Cc1ncccn1)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone?
The InChIKey is WDMMVISQTIXONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c18-14(10-15-16-7-2-8-17-15)13-6-5-11-3-1-4-12(11)9-13/h2,5-9H,1,3-4,10H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone?
1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone has a molecular weight of 238.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone is sourced from PubChem (CID 116833026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).