1-(1-methylazetidin-3-yl)-3-phenylurea

C11H15N3O — CID 70794092

IUPAC1-(1-methylazetidin-3-yl)-3-phenylurea
SMILESCN1CC(NC(=O)Nc2ccccc2)C1
InChIInChI=1S/C11H15N3O/c1-14-7-10(8-14)13-11(15)12-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H2,12,13,15)
InChIKeyVCAHNEGVKOEWJP-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.12
Rot. Bonds2

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

1-(1-methylazetidin-3-yl)-3-phenylurea (PubChem CID 70794092) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(1-methylazetidin-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(1-methylazetidin-3-yl)-3-phenylurea
PubChem CID70794092
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(1-methylazetidin-3-yl)-3-phenylurea
SMILESCN1CC(NC(=O)Nc2ccccc2)C1
InChIInChI=1S/C11H15N3O/c1-14-7-10(8-14)13-11(15)12-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H2,12,13,15)
InChIKeyVCAHNEGVKOEWJP-UHFFFAOYSA-N
XLogP1.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azetidin-3-yl)-3-phenylurea
CID 66185847
1-[(3S)-1-methylpiperidin-3-yl]-3-(4-phenyldiazenylphenyl)urea
CID 95354595
1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038
1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium
CID 59803141
1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea
CID 99847107
1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea
CID 59781432
1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea
CID 61222902
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea
CID 110747922
1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea
CID 41098100
1-[(3R,4R)-1,1-dioxo-4-(phenylcarbamoylamino)thiolan-3-yl]-3-phenylurea
CID 7721133
1-phenyl-3-(thiolan-3-yl)urea
CID 2805565

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylazetidin-3-yl)-3-phenylurea?
The IUPAC name of 1-(1-methylazetidin-3-yl)-3-phenylurea (CID 70794092) is 1-(1-methylazetidin-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(1-methylazetidin-3-yl)-3-phenylurea?
The canonical SMILES for 1-(1-methylazetidin-3-yl)-3-phenylurea is CN1CC(NC(=O)Nc2ccccc2)C1.
What is the InChIKey of 1-(1-methylazetidin-3-yl)-3-phenylurea?
The InChIKey is VCAHNEGVKOEWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-14-7-10(8-14)13-11(15)12-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H2,12,13,15).
What are the key properties of 1-(1-methylazetidin-3-yl)-3-phenylurea?
1-(1-methylazetidin-3-yl)-3-phenylurea has a molecular weight of 205.26 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylazetidin-3-yl)-3-phenylurea is sourced from PubChem (CID 70794092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).