1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea

C13H19N3O2 — CID 13469997

IUPAC1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea
SMILESCNC(=O)NC1=C2CCCC=C2N(C(C)C)C1=O
InChIInChI=1S/C13H19N3O2/c1-8(2)16-10-7-5-4-6-9(10)11(12(16)17)15-13(18)14-3/h7-8H,4-6H2,1-3H3,(H2,14,15,18)
InChIKeyYWEOAPBADNSXPD-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.49
Rot. Bonds2

About 1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea

1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea (PubChem CID 13469997) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea
PubChem CID13469997
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea
SMILESCNC(=O)NC1=C2CCCC=C2N(C(C)C)C1=O
InChIInChI=1S/C13H19N3O2/c1-8(2)16-10-7-5-4-6-9(10)11(12(16)17)15-13(18)14-3/h7-8H,4-6H2,1-3H3,(H2,14,15,18)
InChIKeyYWEOAPBADNSXPD-UHFFFAOYSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea?
The IUPAC name of 1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea (CID 13469997) is 1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea.
What is the SMILES notation for 1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea?
The canonical SMILES for 1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea is CNC(=O)NC1=C2CCCC=C2N(C(C)C)C1=O.
What is the InChIKey of 1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea?
The InChIKey is YWEOAPBADNSXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8(2)16-10-7-5-4-6-9(10)11(12(16)17)15-13(18)14-3/h7-8H,4-6H2,1-3H3,(H2,14,15,18).
What are the key properties of 1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea?
1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea has a molecular weight of 249.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea is sourced from PubChem (CID 13469997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).