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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Related Compounds

N-(1-morpholin-4-ylpropan-2-yl)pyrrolidine-1-carboxamide
CID 60478485
1-Methyl-1-(1-methylpyrrolidin-3-yl)-3-(2-morpholin-4-ylethyl)urea
CID 172437142
rac-3-ethyl-1-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea hydrochloride
CID 54592760
3-Ethyl-1-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea
CID 52908262
(3S)-N-tert-butyl-3-methoxypyrrolidine-1-carboxamide
CID 164643446
1-(2-Methoxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 60605131
1-(2-methoxyethyl)-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 94744591
1-(2-methoxyethyl)-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 94744592
1-[(4S)-4-methoxypyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 104858914
1-[1-(2-Methoxypropyl)piperidin-4-yl]imidazolidin-2-one
CID 18340088
N-(4-methoxypyrrolidin-3-yl)formamide
CID 19969812
N-(4-methoxypyrrolidin-3-yl)acetamide
CID 19969849

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).