4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazolidin-2-one

C13H16N2O — CID 116980815

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazolidin-2-one
SMILESCN1CC(c2ccc3c(c2)CCC3)NC1=O
InChIInChI=1S/C13H16N2O/c1-15-8-12(14-13(15)16)11-6-5-9-3-2-4-10(9)7-11/h5-7,12H,2-4,8H2,1H3,(H,14,16)
InChIKeyXNDIPSLAXLKLLV-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.87
Rot. Bonds1

About 4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazolidin-2-one

4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazolidin-2-one (PubChem CID 116980815) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazolidin-2-one
PubChem CID116980815
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazolidin-2-one
SMILESCN1CC(c2ccc3c(c2)CCC3)NC1=O
InChIInChI=1S/C13H16N2O/c1-15-8-12(14-13(15)16)11-6-5-9-3-2-4-10(9)7-11/h5-7,12H,2-4,8H2,1H3,(H,14,16)
InChIKeyXNDIPSLAXLKLLV-UHFFFAOYSA-N
XLogP1.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,4-dihydroxyphenyl)-1-methylimidazolidin-2-one
CID 24973439
1-methyl-4-(1-methylbenzimidazol-5-yl)imidazolidin-2-one
CID 116980895
ethane;1-methyl-4-pyridin-4-ylimidazolidin-2-one
CID 143177122
1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 90179148
2-methyl-6-(1-methyl-2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one
CID 116980876
1-methyl-4-(4-phenoxyphenyl)imidazolidin-2-one
CID 116980839
4-(4-butan-2-ylphenyl)-1-methylimidazolidin-2-one
CID 116980818
5-(2,3-dihydro-1H-inden-5-yl)-1,3-diazinane-2,4,6-trione
CID 70201313
2-[4-(2,3-dihydro-1H-inden-5-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 82306781
3-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione
CID 82113669
3-(2,3-dihydro-1H-inden-5-yl)piperidin-4-amine
CID 82614224
5-(2,3-dihydro-1H-inden-5-yl)-4-methylpyrrolidine-2-carboxylic acid
CID 82384952

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazolidin-2-one?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazolidin-2-one (CID 116980815) is 4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazolidin-2-one.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazolidin-2-one?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazolidin-2-one is CN1CC(c2ccc3c(c2)CCC3)NC1=O.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazolidin-2-one?
The InChIKey is XNDIPSLAXLKLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-15-8-12(14-13(15)16)11-6-5-9-3-2-4-10(9)7-11/h5-7,12H,2-4,8H2,1H3,(H,14,16).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazolidin-2-one?
4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazolidin-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazolidin-2-one is sourced from PubChem (CID 116980815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).