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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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).