1-[1-(2-methoxyethyl)indol-5-yl]-3-prop-2-enylurea

C15H19N3O2 — CID 56825864

IUPAC1-[1-(2-methoxyethyl)indol-5-yl]-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc2c(ccn2CCOC)c1
InChIInChI=1S/C15H19N3O2/c1-3-7-16-15(19)17-13-4-5-14-12(11-13)6-8-18(14)9-10-20-2/h3-6,8,11H,1,7,9-10H2,2H3,(H2,16,17,19)
InChIKeyLHLLYBMPXXTXJV-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.60
Rot. Bonds6

About 1-[1-(2-methoxyethyl)indol-5-yl]-3-prop-2-enylurea

1-[1-(2-methoxyethyl)indol-5-yl]-3-prop-2-enylurea (PubChem CID 56825864) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)indol-5-yl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)indol-5-yl]-3-prop-2-enylurea
PubChem CID56825864
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[1-(2-methoxyethyl)indol-5-yl]-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc2c(ccn2CCOC)c1
InChIInChI=1S/C15H19N3O2/c1-3-7-16-15(19)17-13-4-5-14-12(11-13)6-8-18(14)9-10-20-2/h3-6,8,11H,1,7,9-10H2,2H3,(H2,16,17,19)
InChIKeyLHLLYBMPXXTXJV-UHFFFAOYSA-N
XLogP2.60
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)indol-5-yl]-3-prop-2-enylurea?
The IUPAC name of 1-[1-(2-methoxyethyl)indol-5-yl]-3-prop-2-enylurea (CID 56825864) is 1-[1-(2-methoxyethyl)indol-5-yl]-3-prop-2-enylurea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)indol-5-yl]-3-prop-2-enylurea?
The canonical SMILES for 1-[1-(2-methoxyethyl)indol-5-yl]-3-prop-2-enylurea is C=CCNC(=O)Nc1ccc2c(ccn2CCOC)c1.
What is the InChIKey of 1-[1-(2-methoxyethyl)indol-5-yl]-3-prop-2-enylurea?
The InChIKey is LHLLYBMPXXTXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-7-16-15(19)17-13-4-5-14-12(11-13)6-8-18(14)9-10-20-2/h3-6,8,11H,1,7,9-10H2,2H3,(H2,16,17,19).
What are the key properties of 1-[1-(2-methoxyethyl)indol-5-yl]-3-prop-2-enylurea?
1-[1-(2-methoxyethyl)indol-5-yl]-3-prop-2-enylurea has a molecular weight of 273.34 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)indol-5-yl]-3-prop-2-enylurea is sourced from PubChem (CID 56825864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).