1-ethyl-3-(1H-indol-3-yl)urea

C11H13N3O — CID 7615926

IUPAC1-ethyl-3-(1H-indol-3-yl)urea
SMILESCCNC(=O)Nc1c[nH]c2ccccc12
InChIInChI=1S/C11H13N3O/c1-2-12-11(15)14-10-7-13-9-6-4-3-5-8(9)10/h3-7,13H,2H2,1H3,(H2,12,14,15)
InChIKeyLPGPMCULRMDJFX-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.31
Rot. Bonds2

About 1-ethyl-3-(1H-indol-3-yl)urea

1-ethyl-3-(1H-indol-3-yl)urea (PubChem CID 7615926) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-ethyl-3-(1H-indol-3-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(1H-indol-3-yl)urea
PubChem CID7615926
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name1-ethyl-3-(1H-indol-3-yl)urea
SMILESCCNC(=O)Nc1c[nH]c2ccccc12
InChIInChI=1S/C11H13N3O/c1-2-12-11(15)14-10-7-13-9-6-4-3-5-8(9)10/h3-7,13H,2H2,1H3,(H2,12,14,15)
InChIKeyLPGPMCULRMDJFX-UHFFFAOYSA-N
XLogP2.31
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea
CID 7615942
1-benzyl-3-(1H-indol-3-yl)urea
CID 7615984
1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea
CID 7615961
1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea
CID 7615931
N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662
1H-indol-3-ylcarbamic acid
CID 66672709
1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea
CID 18582261
N-ethyl-1H-indol-3-amine
CID 22497863
1-ethyl-3-(1H-indazol-3-yl)urea
CID 62687117
1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea
CID 7616071
1-(1H-indol-3-yl)-3-(2-morpholin-4-ylethyl)urea
CID 7615967
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea
CID 7616000

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1H-indol-3-yl)urea?
The IUPAC name of 1-ethyl-3-(1H-indol-3-yl)urea (CID 7615926) is 1-ethyl-3-(1H-indol-3-yl)urea.
What is the SMILES notation for 1-ethyl-3-(1H-indol-3-yl)urea?
The canonical SMILES for 1-ethyl-3-(1H-indol-3-yl)urea is CCNC(=O)Nc1c[nH]c2ccccc12.
What is the InChIKey of 1-ethyl-3-(1H-indol-3-yl)urea?
The InChIKey is LPGPMCULRMDJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-12-11(15)14-10-7-13-9-6-4-3-5-8(9)10/h3-7,13H,2H2,1H3,(H2,12,14,15).
What are the key properties of 1-ethyl-3-(1H-indol-3-yl)urea?
1-ethyl-3-(1H-indol-3-yl)urea has a molecular weight of 203.24 g/mol, XLogP of 2.31, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1H-indol-3-yl)urea is sourced from PubChem (CID 7615926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).