1-(3H-inden-4-yl)propan-2-one

C12H12O — CID 126731136

IUPAC1-(3H-inden-4-yl)propan-2-one
SMILESCC(=O)Cc1cccc2c1CC=C2
InChIInChI=1S/C12H12O/c1-9(13)8-11-6-2-4-10-5-3-7-12(10)11/h2-6H,7-8H2,1H3
InChIKeyWTMFKQXONXCBBB-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.39
Rot. Bonds2

About 1-(3H-inden-4-yl)propan-2-one

1-(3H-inden-4-yl)propan-2-one (PubChem CID 126731136) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(3H-inden-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(3H-inden-4-yl)propan-2-one
PubChem CID126731136
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name1-(3H-inden-4-yl)propan-2-one
SMILESCC(=O)Cc1cccc2c1CC=C2
InChIInChI=1S/C12H12O/c1-9(13)8-11-6-2-4-10-5-3-7-12(10)11/h2-6H,7-8H2,1H3
InChIKeyWTMFKQXONXCBBB-UHFFFAOYSA-N
XLogP2.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-inden-4-yl)propan-2-one?
The IUPAC name of 1-(3H-inden-4-yl)propan-2-one (CID 126731136) is 1-(3H-inden-4-yl)propan-2-one.
What is the SMILES notation for 1-(3H-inden-4-yl)propan-2-one?
The canonical SMILES for 1-(3H-inden-4-yl)propan-2-one is CC(=O)Cc1cccc2c1CC=C2.
What is the InChIKey of 1-(3H-inden-4-yl)propan-2-one?
The InChIKey is WTMFKQXONXCBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-9(13)8-11-6-2-4-10-5-3-7-12(10)11/h2-6H,7-8H2,1H3.
What are the key properties of 1-(3H-inden-4-yl)propan-2-one?
1-(3H-inden-4-yl)propan-2-one has a molecular weight of 172.23 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-inden-4-yl)propan-2-one is sourced from PubChem (CID 126731136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).