5-methyl-2-propyl-2,3-dihydroinden-1-one

C13H16O — CID 102386664

IUPAC5-methyl-2-propyl-2,3-dihydroinden-1-one
SMILESCCCC1Cc2cc(C)ccc2C1=O
InChIInChI=1S/C13H16O/c1-3-4-10-8-11-7-9(2)5-6-12(11)13(10)14/h5-7,10H,3-4,8H2,1-2H3
InChIKeyHLJZSADXYQCOFS-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.15
Rot. Bonds2

About 5-methyl-2-propyl-2,3-dihydroinden-1-one

5-methyl-2-propyl-2,3-dihydroinden-1-one (PubChem CID 102386664) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-methyl-2-propyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-methyl-2-propyl-2,3-dihydroinden-1-one
PubChem CID102386664
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name5-methyl-2-propyl-2,3-dihydroinden-1-one
SMILESCCCC1Cc2cc(C)ccc2C1=O
InChIInChI=1S/C13H16O/c1-3-4-10-8-11-7-9(2)5-6-12(11)13(10)14/h5-7,10H,3-4,8H2,1-2H3
InChIKeyHLJZSADXYQCOFS-UHFFFAOYSA-N
XLogP3.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(dimethylamino)ethyl]-5-methyl-2,3-dihydroinden-1-one
CID 11009402
(2S)-2-bromo-5-methyl-2,3-dihydroinden-1-one
CID 177205826
5-bromopent-1-ene;2-butyl-5-methyl-2,3-dihydroinden-1-one;oxolane
CID 91146921
6-methyl-3-propyl-2,3-dihydrochromen-4-one
CID 145003242
4-(5-methyl-3-oxo-1,2-dihydroinden-2-yl)butanoic acid
CID 13254244
ethyl 3-(6-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate
CID 118477285
2-[(3-acetyl-4-pyridinyl)methyl]-5-methyl-2,3-dihydroinden-1-one
CID 118557861
2-(2-fluoroethyl)-2,3-dihydroinden-1-one
CID 80695760
2-propyl-3,4-dihydro-2H-naphthalen-1-one
CID 10877906
(2S)-2-but-2-enyl-6-methyl-2,3-dihydroinden-1-one
CID 67713899
N-(2-butyl-1-oxo-2,3-dihydroinden-5-yl)acetamide;N-(1-oxo-2,3-dihydroinden-5-yl)acetamide
CID 162121453
3-hexyl-5-methyl-2,3-dihydroinden-1-one
CID 14895354

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propyl-2,3-dihydroinden-1-one?
The IUPAC name of 5-methyl-2-propyl-2,3-dihydroinden-1-one (CID 102386664) is 5-methyl-2-propyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-methyl-2-propyl-2,3-dihydroinden-1-one?
The canonical SMILES for 5-methyl-2-propyl-2,3-dihydroinden-1-one is CCCC1Cc2cc(C)ccc2C1=O.
What is the InChIKey of 5-methyl-2-propyl-2,3-dihydroinden-1-one?
The InChIKey is HLJZSADXYQCOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-3-4-10-8-11-7-9(2)5-6-12(11)13(10)14/h5-7,10H,3-4,8H2,1-2H3.
What are the key properties of 5-methyl-2-propyl-2,3-dihydroinden-1-one?
5-methyl-2-propyl-2,3-dihydroinden-1-one has a molecular weight of 188.27 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 102386664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).