1-(azetidin-3-yl)-3-phenylurea

C10H13N3O — CID 66185847

IUPAC1-(azetidin-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CNC1
InChIInChI=1S/C10H13N3O/c14-10(13-9-6-11-7-9)12-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H2,12,13,14)
InChIKeyDALCCVVYCFABKK-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.78
Rot. Bonds2

About 1-(azetidin-3-yl)-3-phenylurea

1-(azetidin-3-yl)-3-phenylurea (PubChem CID 66185847) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3-phenylurea
PubChem CID66185847
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-(azetidin-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CNC1
InChIInChI=1S/C10H13N3O/c14-10(13-9-6-11-7-9)12-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H2,12,13,14)
InChIKeyDALCCVVYCFABKK-UHFFFAOYSA-N
XLogP0.78
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methylazetidin-3-yl)-3-phenylurea
CID 70794092
1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium
CID 59803141
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
1-phenyl-3-(thiolan-3-yl)urea
CID 2805565
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea
CID 110747922
1-[(1R,5R)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-phenylurea
CID 1461622
2-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083323
(5R)-N-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 175368389
1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea
CID 41098100
1-[(3R,4R)-1,1-dioxo-4-(phenylcarbamoylamino)thiolan-3-yl]-3-phenylurea
CID 7721133

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-3-phenylurea?
The IUPAC name of 1-(azetidin-3-yl)-3-phenylurea (CID 66185847) is 1-(azetidin-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(azetidin-3-yl)-3-phenylurea?
The canonical SMILES for 1-(azetidin-3-yl)-3-phenylurea is O=C(Nc1ccccc1)NC1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-3-phenylurea?
The InChIKey is DALCCVVYCFABKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-10(13-9-6-11-7-9)12-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H2,12,13,14).
What are the key properties of 1-(azetidin-3-yl)-3-phenylurea?
1-(azetidin-3-yl)-3-phenylurea has a molecular weight of 191.23 g/mol, XLogP of 0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-3-phenylurea is sourced from PubChem (CID 66185847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).