2-[2-(dimethylamino)ethyl]-5-methyl-2,3-dihydroinden-1-one

C14H19NO — CID 11009402

IUPAC2-[2-(dimethylamino)ethyl]-5-methyl-2,3-dihydroinden-1-one
SMILESCc1ccc2c(c1)CC(CCN(C)C)C2=O
InChIInChI=1S/C14H19NO/c1-10-4-5-13-12(8-10)9-11(14(13)16)6-7-15(2)3/h4-5,8,11H,6-7,9H2,1-3H3
InChIKeyNLQLXYFETJOAQI-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.30
Rot. Bonds3

About 2-[2-(dimethylamino)ethyl]-5-methyl-2,3-dihydroinden-1-one

2-[2-(dimethylamino)ethyl]-5-methyl-2,3-dihydroinden-1-one (PubChem CID 11009402) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-5-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-5-methyl-2,3-dihydroinden-1-one
PubChem CID11009402
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-[2-(dimethylamino)ethyl]-5-methyl-2,3-dihydroinden-1-one
SMILESCc1ccc2c(c1)CC(CCN(C)C)C2=O
InChIInChI=1S/C14H19NO/c1-10-4-5-13-12(8-10)9-11(14(13)16)6-7-15(2)3/h4-5,8,11H,6-7,9H2,1-3H3
InChIKeyNLQLXYFETJOAQI-UHFFFAOYSA-N
XLogP2.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-(dimethylamino)ethyl]-5-methyl-2,3-dihydroinden-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Dihydro-2,6-dimethyl-1H-inden-1-one
CID 11593477
4-(4-Butylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
CID 9948320
2-[(Dimethylamino)methylene]indan-1-one
CID 2826073
1(2H)-Naphthalenone, 2-((dimethylamino)methyl)-3,4-dihydro-, hydrochloride (1:1)
CID 199867
5-Methyl-1-indanone
CID 10130031
PMID27977313-Compound-29
CID 436058
1-(10-Azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-yl)ethanone
CID 10130408
1-(9H-fluoren-2-yl)-5-piperidin-1-ylpentan-1-one
CID 566621
1H-Inden-1-one, 2-((dimethylamino)methyl)-2,3-dihydro-, hydrochloride (1:1)
CID 204802
5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-6-((dimethylamino)methyl)-, hydrochloride
CID 378641
1(2H)-Naphthalenone, 3,4-dihydro-2-((dimethylamino)methyl)-
CID 23812
6-Methyl-1-indanone
CID 2795093

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-5-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-5-methyl-2,3-dihydroinden-1-one (CID 11009402) is 2-[2-(dimethylamino)ethyl]-5-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-5-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-5-methyl-2,3-dihydroinden-1-one is Cc1ccc2c(c1)CC(CCN(C)C)C2=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-5-methyl-2,3-dihydroinden-1-one?
The InChIKey is NLQLXYFETJOAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-4-5-13-12(8-10)9-11(14(13)16)6-7-15(2)3/h4-5,8,11H,6-7,9H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-5-methyl-2,3-dihydroinden-1-one?
2-[2-(dimethylamino)ethyl]-5-methyl-2,3-dihydroinden-1-one has a molecular weight of 217.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-5-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 11009402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).