7-propan-2-yl-2,3-dihydroinden-1-one

C12H14O — CID 45096604

IUPAC7-propan-2-yl-2,3-dihydroinden-1-one
SMILESCC(C)c1cccc2c1C(=O)CC2
InChIInChI=1S/C12H14O/c1-8(2)10-5-3-4-9-6-7-11(13)12(9)10/h3-5,8H,6-7H2,1-2H3
InChIKeyOLJLAXHVBJLHAV-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.94
Rot. Bonds1

About 7-propan-2-yl-2,3-dihydroinden-1-one

7-propan-2-yl-2,3-dihydroinden-1-one (PubChem CID 45096604) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 7-propan-2-yl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-propan-2-yl-2,3-dihydroinden-1-one
PubChem CID45096604
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name7-propan-2-yl-2,3-dihydroinden-1-one
SMILESCC(C)c1cccc2c1C(=O)CC2
InChIInChI=1S/C12H14O/c1-8(2)10-5-3-4-9-6-7-11(13)12(9)10/h3-5,8H,6-7H2,1-2H3
InChIKeyOLJLAXHVBJLHAV-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2,3-dihydroinden-1-one?
The IUPAC name of 7-propan-2-yl-2,3-dihydroinden-1-one (CID 45096604) is 7-propan-2-yl-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-propan-2-yl-2,3-dihydroinden-1-one?
The canonical SMILES for 7-propan-2-yl-2,3-dihydroinden-1-one is CC(C)c1cccc2c1C(=O)CC2.
What is the InChIKey of 7-propan-2-yl-2,3-dihydroinden-1-one?
The InChIKey is OLJLAXHVBJLHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-8(2)10-5-3-4-9-6-7-11(13)12(9)10/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 7-propan-2-yl-2,3-dihydroinden-1-one?
7-propan-2-yl-2,3-dihydroinden-1-one has a molecular weight of 174.24 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2,3-dihydroinden-1-one is sourced from PubChem (CID 45096604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).