(1-propan-2-ylpyrrolidin-3-yl)urea

C8H17N3O — CID 72571919

IUPAC(1-propan-2-ylpyrrolidin-3-yl)urea
SMILESCC(C)N1CCC(NC(N)=O)C1
InChIInChI=1S/C8H17N3O/c1-6(2)11-4-3-7(5-11)10-8(9)12/h6-7H,3-5H2,1-2H3,(H3,9,10,12)
InChIKeyQGWJLETZEBSCSV-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.14
Rot. Bonds2

About (1-propan-2-ylpyrrolidin-3-yl)urea

(1-propan-2-ylpyrrolidin-3-yl)urea (PubChem CID 72571919) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is (1-propan-2-ylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name(1-propan-2-ylpyrrolidin-3-yl)urea
PubChem CID72571919
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name(1-propan-2-ylpyrrolidin-3-yl)urea
SMILESCC(C)N1CCC(NC(N)=O)C1
InChIInChI=1S/C8H17N3O/c1-6(2)11-4-3-7(5-11)10-8(9)12/h6-7H,3-5H2,1-2H3,(H3,9,10,12)
InChIKeyQGWJLETZEBSCSV-UHFFFAOYSA-N
XLogP0.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-propan-2-ylazetidin-3-yl)urea
CID 130678981
N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]propanamide
CID 130272361
2-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 126988298
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463
1-[(2S)-1-methoxypropan-2-yl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
CID 95762985
(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 79024824
(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine
CID 94057880
N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 177033452
3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid
CID 94057936
N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide
CID 25236585
2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen
CID 176982787
1-propan-2-yl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71632965

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylpyrrolidin-3-yl)urea?
The IUPAC name of (1-propan-2-ylpyrrolidin-3-yl)urea (CID 72571919) is (1-propan-2-ylpyrrolidin-3-yl)urea.
What is the SMILES notation for (1-propan-2-ylpyrrolidin-3-yl)urea?
The canonical SMILES for (1-propan-2-ylpyrrolidin-3-yl)urea is CC(C)N1CCC(NC(N)=O)C1.
What is the InChIKey of (1-propan-2-ylpyrrolidin-3-yl)urea?
The InChIKey is QGWJLETZEBSCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6(2)11-4-3-7(5-11)10-8(9)12/h6-7H,3-5H2,1-2H3,(H3,9,10,12).
What are the key properties of (1-propan-2-ylpyrrolidin-3-yl)urea?
(1-propan-2-ylpyrrolidin-3-yl)urea has a molecular weight of 171.24 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpyrrolidin-3-yl)urea is sourced from PubChem (CID 72571919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).