1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea

C13H19N3O2 — CID 83114594

IUPAC1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea
SMILESCN(C)C(=O)NCCn1ccc2c1CCCC2=O
InChIInChI=1S/C13H19N3O2/c1-15(2)13(18)14-7-9-16-8-6-10-11(16)4-3-5-12(10)17/h6,8H,3-5,7,9H2,1-2H3,(H,14,18)
InChIKeyUHLSFXJRPNHFAT-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.28
Rot. Bonds3

About 1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea

1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea (PubChem CID 83114594) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea
PubChem CID83114594
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea
SMILESCN(C)C(=O)NCCn1ccc2c1CCCC2=O
InChIInChI=1S/C13H19N3O2/c1-15(2)13(18)14-7-9-16-8-6-10-11(16)4-3-5-12(10)17/h6,8H,3-5,7,9H2,1-2H3,(H,14,18)
InChIKeyUHLSFXJRPNHFAT-UHFFFAOYSA-N
XLogP1.28
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea (CID 83114594) is 1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea is CN(C)C(=O)NCCn1ccc2c1CCCC2=O.
What is the InChIKey of 1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea?
The InChIKey is UHLSFXJRPNHFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15(2)13(18)14-7-9-16-8-6-10-11(16)4-3-5-12(10)17/h6,8H,3-5,7,9H2,1-2H3,(H,14,18).
What are the key properties of 1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea?
1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea has a molecular weight of 249.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea is sourced from PubChem (CID 83114594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).