5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one

C14H18O — CID 64522132

IUPAC5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one
SMILESCC(=O)CCCc1ccc2c(c1)CCC2
InChIInChI=1S/C14H18O/c1-11(15)4-2-5-12-8-9-13-6-3-7-14(13)10-12/h8-10H,2-7H2,1H3
InChIKeyPQCZTHDSUVEUCI-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.09
Rot. Bonds4

About 5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one

5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one (PubChem CID 64522132) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one
PubChem CID64522132
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one
SMILESCC(=O)CCCc1ccc2c(c1)CCC2
InChIInChI=1S/C14H18O/c1-11(15)4-2-5-12-8-9-13-6-3-7-14(13)10-12/h8-10H,2-7H2,1H3
InChIKeyPQCZTHDSUVEUCI-UHFFFAOYSA-N
XLogP3.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide
CID 116845082
1-(4-methylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
CID 110673901
3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 12646159
5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one
CID 64642185
4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-2-one
CID 115235761
5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one
CID 43793468
6-(2,3-dihydro-1H-inden-5-ylsulfonyl)hexan-2-one
CID 64641999
5-(2,3-dihydro-1H-inden-5-ylsulfanyl)pentan-2-one
CID 43425970
5-(2,3-dihydro-1H-inden-5-yl)-N',N'-dimethylpentanehydrazide
CID 116847788
5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)butyl acetate
CID 58389492

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one (CID 64522132) is 5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one is CC(=O)CCCc1ccc2c(c1)CCC2.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one?
The InChIKey is PQCZTHDSUVEUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-11(15)4-2-5-12-8-9-13-6-3-7-14(13)10-12/h8-10H,2-7H2,1H3.
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one?
5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one has a molecular weight of 202.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one is sourced from PubChem (CID 64522132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).