1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea

C13H17N3O2 — CID 46383472

IUPAC1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
SMILESCNC(=O)NC(C)C(=O)N1CCc2ccccc21
InChIInChI=1S/C13H17N3O2/c1-9(15-13(18)14-2)12(17)16-8-7-10-5-3-4-6-11(10)16/h3-6,9H,7-8H2,1-2H3,(H2,14,15,18)
InChIKeyYVGRRGCGWKOFGG-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.89
Rot. Bonds2

About 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea

1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea (PubChem CID 46383472) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea.

Molecular Properties

Compound Name1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
PubChem CID46383472
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
SMILESCNC(=O)NC(C)C(=O)N1CCc2ccccc21
InChIInChI=1S/C13H17N3O2/c1-9(15-13(18)14-2)12(17)16-8-7-10-5-3-4-6-11(10)16/h3-6,9H,7-8H2,1-2H3,(H2,14,15,18)
InChIKeyYVGRRGCGWKOFGG-UHFFFAOYSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea
CID 46383476
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea
CID 92881544
1-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylphenyl)urea
CID 92881468
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-methylbutyl)urea
CID 46383468
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,3-dimethylphenyl)urea
CID 46383423
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348089
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922742
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea
CID 92881442
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea
CID 46383419
phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348139
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-methylphenyl)sulfonylurea
CID 110348145

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea?
The IUPAC name of 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea (CID 46383472) is 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea.
What is the SMILES notation for 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea?
The canonical SMILES for 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea is CNC(=O)NC(C)C(=O)N1CCc2ccccc21.
What is the InChIKey of 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea?
The InChIKey is YVGRRGCGWKOFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(15-13(18)14-2)12(17)16-8-7-10-5-3-4-6-11(10)16/h3-6,9H,7-8H2,1-2H3,(H2,14,15,18).
What are the key properties of 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea?
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea has a molecular weight of 247.30 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea is sourced from PubChem (CID 46383472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).