1-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea

C9H19N3O — CID 116654403

IUPAC1-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
SMILESCCNC(=O)NCC1CCN(C)C1
InChIInChI=1S/C9H19N3O/c1-3-10-9(13)11-6-8-4-5-12(2)7-8/h8H,3-7H2,1-2H3,(H2,10,11,13)
InChIKeyVWYUARITJRCINK-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.26
Rot. Bonds3

About 1-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea

1-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea (PubChem CID 116654403) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
PubChem CID116654403
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
SMILESCCNC(=O)NCC1CCN(C)C1
InChIInChI=1S/C9H19N3O/c1-3-10-9(13)11-6-8-4-5-12(2)7-8/h8H,3-7H2,1-2H3,(H2,10,11,13)
InChIKeyVWYUARITJRCINK-UHFFFAOYSA-N
XLogP0.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea?
The IUPAC name of 1-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea (CID 116654403) is 1-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea.
What is the SMILES notation for 1-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea?
The canonical SMILES for 1-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea is CCNC(=O)NCC1CCN(C)C1.
What is the InChIKey of 1-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea?
The InChIKey is VWYUARITJRCINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-10-9(13)11-6-8-4-5-12(2)7-8/h8H,3-7H2,1-2H3,(H2,10,11,13).
What are the key properties of 1-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea?
1-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea has a molecular weight of 185.27 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea is sourced from PubChem (CID 116654403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).