1-(4,4-dimethylpyrrolidin-3-yl)-3-ethylurea

C9H19N3O — CID 165445323

IUPAC1-(4,4-dimethylpyrrolidin-3-yl)-3-ethylurea
SMILESCCNC(=O)NC1CNCC1(C)C
InChIInChI=1S/C9H19N3O/c1-4-11-8(13)12-7-5-10-6-9(7,2)3/h7,10H,4-6H2,1-3H3,(H2,11,12,13)
InChIKeyRLGZDRAVHDEFGG-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.30
Rot. Bonds2

About 1-(4,4-dimethylpyrrolidin-3-yl)-3-ethylurea

1-(4,4-dimethylpyrrolidin-3-yl)-3-ethylurea (PubChem CID 165445323) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(4,4-dimethylpyrrolidin-3-yl)-3-ethylurea.

Molecular Properties

Compound Name1-(4,4-dimethylpyrrolidin-3-yl)-3-ethylurea
PubChem CID165445323
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-(4,4-dimethylpyrrolidin-3-yl)-3-ethylurea
SMILESCCNC(=O)NC1CNCC1(C)C
InChIInChI=1S/C9H19N3O/c1-4-11-8(13)12-7-5-10-6-9(7,2)3/h7,10H,4-6H2,1-3H3,(H2,11,12,13)
InChIKeyRLGZDRAVHDEFGG-UHFFFAOYSA-N
XLogP0.30
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpyrrolidin-3-yl)-3-ethylurea?
The IUPAC name of 1-(4,4-dimethylpyrrolidin-3-yl)-3-ethylurea (CID 165445323) is 1-(4,4-dimethylpyrrolidin-3-yl)-3-ethylurea.
What is the SMILES notation for 1-(4,4-dimethylpyrrolidin-3-yl)-3-ethylurea?
The canonical SMILES for 1-(4,4-dimethylpyrrolidin-3-yl)-3-ethylurea is CCNC(=O)NC1CNCC1(C)C.
What is the InChIKey of 1-(4,4-dimethylpyrrolidin-3-yl)-3-ethylurea?
The InChIKey is RLGZDRAVHDEFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-4-11-8(13)12-7-5-10-6-9(7,2)3/h7,10H,4-6H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-(4,4-dimethylpyrrolidin-3-yl)-3-ethylurea?
1-(4,4-dimethylpyrrolidin-3-yl)-3-ethylurea has a molecular weight of 185.27 g/mol, XLogP of 0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpyrrolidin-3-yl)-3-ethylurea is sourced from PubChem (CID 165445323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).