1-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]-3-propylurea

C15H27N3O — CID 110776269

IUPAC1-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1cc(C)n(C(C)C)c1C
InChIInChI=1S/C15H27N3O/c1-6-8-16-15(19)17-9-7-14-10-12(4)18(11(2)3)13(14)5/h10-11H,6-9H2,1-5H3,(H2,16,17,19)
InChIKeyHEJOASMYTDUYNZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.94
Rot. Bonds6

About 1-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]-3-propylurea

1-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]-3-propylurea (PubChem CID 110776269) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]-3-propylurea
PubChem CID110776269
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1cc(C)n(C(C)C)c1C
InChIInChI=1S/C15H27N3O/c1-6-8-16-15(19)17-9-7-14-10-12(4)18(11(2)3)13(14)5/h10-11H,6-9H2,1-5H3,(H2,16,17,19)
InChIKeyHEJOASMYTDUYNZ-UHFFFAOYSA-N
XLogP2.94
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]-3-propylurea?
The IUPAC name of 1-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]-3-propylurea (CID 110776269) is 1-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]-3-propylurea.
What is the SMILES notation for 1-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]-3-propylurea?
The canonical SMILES for 1-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]-3-propylurea is CCCNC(=O)NCCc1cc(C)n(C(C)C)c1C.
What is the InChIKey of 1-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]-3-propylurea?
The InChIKey is HEJOASMYTDUYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-6-8-16-15(19)17-9-7-14-10-12(4)18(11(2)3)13(14)5/h10-11H,6-9H2,1-5H3,(H2,16,17,19).
What are the key properties of 1-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]-3-propylurea?
1-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]-3-propylurea has a molecular weight of 265.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]-3-propylurea is sourced from PubChem (CID 110776269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).