1-(2,3-dihydro-1H-indol-6-yl)-3-methylimidazolidin-2-one

C12H15N3O — CID 82512682

IUPAC1-(2,3-dihydro-1H-indol-6-yl)-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccc3c(c2)NCC3)C1=O
InChIInChI=1S/C12H15N3O/c1-14-6-7-15(12(14)16)10-3-2-9-4-5-13-11(9)8-10/h2-3,8,13H,4-7H2,1H3
InChIKeyWJVQSYXLGHUYRD-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.53
Rot. Bonds1

About 1-(2,3-dihydro-1H-indol-6-yl)-3-methylimidazolidin-2-one

1-(2,3-dihydro-1H-indol-6-yl)-3-methylimidazolidin-2-one (PubChem CID 82512682) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-6-yl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-6-yl)-3-methylimidazolidin-2-one
PubChem CID82512682
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-(2,3-dihydro-1H-indol-6-yl)-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccc3c(c2)NCC3)C1=O
InChIInChI=1S/C12H15N3O/c1-14-6-7-15(12(14)16)10-3-2-9-4-5-13-11(9)8-10/h2-3,8,13H,4-7H2,1H3
InChIKeyWJVQSYXLGHUYRD-UHFFFAOYSA-N
XLogP1.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-6-yl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(2,3-dihydro-1H-indol-6-yl)-3-methylimidazolidin-2-one (CID 82512682) is 1-(2,3-dihydro-1H-indol-6-yl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-6-yl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-6-yl)-3-methylimidazolidin-2-one is CN1CCN(c2ccc3c(c2)NCC3)C1=O.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-6-yl)-3-methylimidazolidin-2-one?
The InChIKey is WJVQSYXLGHUYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-14-6-7-15(12(14)16)10-3-2-9-4-5-13-11(9)8-10/h2-3,8,13H,4-7H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-6-yl)-3-methylimidazolidin-2-one?
1-(2,3-dihydro-1H-indol-6-yl)-3-methylimidazolidin-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-6-yl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 82512682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).