1-cyclobutyl-3-pyrrolidin-3-ylurea

C9H17N3O — CID 116658204

IUPAC1-cyclobutyl-3-pyrrolidin-3-ylurea
SMILESO=C(NC1CCC1)NC1CCNC1
InChIInChI=1S/C9H17N3O/c13-9(11-7-2-1-3-7)12-8-4-5-10-6-8/h7-8,10H,1-6H2,(H2,11,12,13)
InChIKeyROSGFRLGPYYGST-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.20
Rot. Bonds2

About 1-cyclobutyl-3-pyrrolidin-3-ylurea

1-cyclobutyl-3-pyrrolidin-3-ylurea (PubChem CID 116658204) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-cyclobutyl-3-pyrrolidin-3-ylurea.

Molecular Properties

Compound Name1-cyclobutyl-3-pyrrolidin-3-ylurea
PubChem CID116658204
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-cyclobutyl-3-pyrrolidin-3-ylurea
SMILESO=C(NC1CCC1)NC1CCNC1
InChIInChI=1S/C9H17N3O/c13-9(11-7-2-1-3-7)12-8-4-5-10-6-8/h7-8,10H,1-6H2,(H2,11,12,13)
InChIKeyROSGFRLGPYYGST-UHFFFAOYSA-N
XLogP0.20
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea
CID 79685110
1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea
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1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
CID 66630468
1-cyclopropyl-3-piperidin-3-ylurea
CID 62699673
1-cyclobutyl-3-cyclohexylurea
CID 17217147
1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea
CID 117234729
1-piperidin-4-yl-3-pyrrolidin-2-ylurea
CID 117234807
pyrrolidin-3-ylcarbamic acid;hydrochloride
CID 141142005
1-(azepan-3-yl)-3-(oxolan-2-yl)urea
CID 117234826
2-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 103165051
oxalic acid;pyrrolidin-3-ylcarbamic acid
CID 66616538
1-methyl-3-piperidin-4-ylurea
CID 18759970

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-pyrrolidin-3-ylurea?
The IUPAC name of 1-cyclobutyl-3-pyrrolidin-3-ylurea (CID 116658204) is 1-cyclobutyl-3-pyrrolidin-3-ylurea.
What is the SMILES notation for 1-cyclobutyl-3-pyrrolidin-3-ylurea?
The canonical SMILES for 1-cyclobutyl-3-pyrrolidin-3-ylurea is O=C(NC1CCC1)NC1CCNC1.
What is the InChIKey of 1-cyclobutyl-3-pyrrolidin-3-ylurea?
The InChIKey is ROSGFRLGPYYGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c13-9(11-7-2-1-3-7)12-8-4-5-10-6-8/h7-8,10H,1-6H2,(H2,11,12,13).
What are the key properties of 1-cyclobutyl-3-pyrrolidin-3-ylurea?
1-cyclobutyl-3-pyrrolidin-3-ylurea has a molecular weight of 183.25 g/mol, XLogP of 0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-pyrrolidin-3-ylurea is sourced from PubChem (CID 116658204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).