1-(4-methoxypyrrolidin-3-yl)-3-propan-2-ylurea

C9H19N3O2 — CID 74884463

IUPAC1-(4-methoxypyrrolidin-3-yl)-3-propan-2-ylurea
SMILESCOC1CNCC1NC(=O)NC(C)C
InChIInChI=1S/C9H19N3O2/c1-6(2)11-9(13)12-7-4-10-5-8(7)14-3/h6-8,10H,4-5H2,1-3H3,(H2,11,12,13)
InChIKeyKWWPJXNKQZRQTL-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.32
Rot. Bonds3

About 1-(4-methoxypyrrolidin-3-yl)-3-propan-2-ylurea

1-(4-methoxypyrrolidin-3-yl)-3-propan-2-ylurea (PubChem CID 74884463) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(4-methoxypyrrolidin-3-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(4-methoxypyrrolidin-3-yl)-3-propan-2-ylurea
PubChem CID74884463
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name1-(4-methoxypyrrolidin-3-yl)-3-propan-2-ylurea
SMILESCOC1CNCC1NC(=O)NC(C)C
InChIInChI=1S/C9H19N3O2/c1-6(2)11-9(13)12-7-4-10-5-8(7)14-3/h6-8,10H,4-5H2,1-3H3,(H2,11,12,13)
InChIKeyKWWPJXNKQZRQTL-UHFFFAOYSA-N
XLogP-0.32
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrrolidin-3-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(4-methoxypyrrolidin-3-yl)-3-propan-2-ylurea (CID 74884463) is 1-(4-methoxypyrrolidin-3-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(4-methoxypyrrolidin-3-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(4-methoxypyrrolidin-3-yl)-3-propan-2-ylurea is COC1CNCC1NC(=O)NC(C)C.
What is the InChIKey of 1-(4-methoxypyrrolidin-3-yl)-3-propan-2-ylurea?
The InChIKey is KWWPJXNKQZRQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-6(2)11-9(13)12-7-4-10-5-8(7)14-3/h6-8,10H,4-5H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-(4-methoxypyrrolidin-3-yl)-3-propan-2-ylurea?
1-(4-methoxypyrrolidin-3-yl)-3-propan-2-ylurea has a molecular weight of 201.27 g/mol, XLogP of -0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrrolidin-3-yl)-3-propan-2-ylurea is sourced from PubChem (CID 74884463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).