2-(5-ethyl-3-oxo-1,2-dihydroinden-1-yl)-N,N-dimethylacetamide

C15H19NO2 — CID 82159443

IUPAC2-(5-ethyl-3-oxo-1,2-dihydroinden-1-yl)-N,N-dimethylacetamide
SMILESCCc1ccc2c(c1)C(=O)CC2CC(=O)N(C)C
InChIInChI=1S/C15H19NO2/c1-4-10-5-6-12-11(9-15(18)16(2)3)8-14(17)13(12)7-10/h5-7,11H,4,8-9H2,1-3H3
InChIKeyBXPKLKGEHPIESX-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.40
Rot. Bonds3

About 2-(5-ethyl-3-oxo-1,2-dihydroinden-1-yl)-N,N-dimethylacetamide

2-(5-ethyl-3-oxo-1,2-dihydroinden-1-yl)-N,N-dimethylacetamide (PubChem CID 82159443) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(5-ethyl-3-oxo-1,2-dihydroinden-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-ethyl-3-oxo-1,2-dihydroinden-1-yl)-N,N-dimethylacetamide
PubChem CID82159443
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-(5-ethyl-3-oxo-1,2-dihydroinden-1-yl)-N,N-dimethylacetamide
SMILESCCc1ccc2c(c1)C(=O)CC2CC(=O)N(C)C
InChIInChI=1S/C15H19NO2/c1-4-10-5-6-12-11(9-15(18)16(2)3)8-14(17)13(12)7-10/h5-7,11H,4,8-9H2,1-3H3
InChIKeyBXPKLKGEHPIESX-UHFFFAOYSA-N
XLogP2.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 84618710
3,6-diethyl-2,3-dihydro-1H-quinolin-4-one
CID 142549249
6-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one
CID 174821634
2-(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-N,N-dimethylacetamide
CID 22998648
4-(7-ethyl-4-oxo-2,3-dihydrochromen-2-yl)benzoic acid
CID 82047567
3-methyl-6-(2-methylpropyl)-2,3-dihydroinden-1-one
CID 63821918
(3,6-diethyl-9H-fluoren-9-yl)methanediol
CID 174782635
N-[(2S)-5-ethyl-3-oxo-1,2-dihydroinden-2-yl]acetamide
CID 134953463
2,6-diethylanthracene-9,10-dione
CID 130464580
ethane;6-ethyl-2-methyl-2,3-dihydroinden-1-one
CID 143747856
2-(3,4-dioxocyclohexyl)-N,N-dimethylacetamide
CID 164948722
(2E)-2-(7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
CID 84626078

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-3-oxo-1,2-dihydroinden-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(5-ethyl-3-oxo-1,2-dihydroinden-1-yl)-N,N-dimethylacetamide (CID 82159443) is 2-(5-ethyl-3-oxo-1,2-dihydroinden-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-ethyl-3-oxo-1,2-dihydroinden-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-ethyl-3-oxo-1,2-dihydroinden-1-yl)-N,N-dimethylacetamide is CCc1ccc2c(c1)C(=O)CC2CC(=O)N(C)C.
What is the InChIKey of 2-(5-ethyl-3-oxo-1,2-dihydroinden-1-yl)-N,N-dimethylacetamide?
The InChIKey is BXPKLKGEHPIESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-10-5-6-12-11(9-15(18)16(2)3)8-14(17)13(12)7-10/h5-7,11H,4,8-9H2,1-3H3.
What are the key properties of 2-(5-ethyl-3-oxo-1,2-dihydroinden-1-yl)-N,N-dimethylacetamide?
2-(5-ethyl-3-oxo-1,2-dihydroinden-1-yl)-N,N-dimethylacetamide has a molecular weight of 245.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-3-oxo-1,2-dihydroinden-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 82159443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).