[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]urea

C13H17N3O — CID 122139589

IUPAC[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]urea
SMILESNC(=O)Nc1ccccc1N1CC2CCC1C2
InChIInChI=1S/C13H17N3O/c14-13(17)15-11-3-1-2-4-12(11)16-8-9-5-6-10(16)7-9/h1-4,9-10H,5-8H2,(H3,14,15,17)
InChIKeyDSWGTNZUGVJLNQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.17
Rot. Bonds2

About [2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]urea

[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]urea (PubChem CID 122139589) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]urea.

Molecular Properties

Compound Name[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]urea
PubChem CID122139589
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]urea
SMILESNC(=O)Nc1ccccc1N1CC2CCC1C2
InChIInChI=1S/C13H17N3O/c14-13(17)15-11-3-1-2-4-12(11)16-8-9-5-6-10(16)7-9/h1-4,9-10H,5-8H2,(H3,14,15,17)
InChIKeyDSWGTNZUGVJLNQ-UHFFFAOYSA-N
XLogP2.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-azabicyclo[2.2.1]heptan-2-yl)phenol
CID 84771208
1-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(3,6-dihydro-2H-pyran-5-ylmethyl)urea
CID 125143000
N-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]-6-methoxypyrazine-2-carboxamide
CID 125139843
[3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-nitrophenyl]hydrazine
CID 80904465
3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylaniline
CID 63061360
3-amino-2-(2-azabicyclo[2.2.1]heptan-2-yl)benzamide
CID 112578514
2-[2-(bromomethyl)phenyl]-2-azabicyclo[2.2.1]heptane
CID 107081644
3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-nitrobenzoic acid
CID 113332071
2-amino-5-(2-azabicyclo[2.2.1]heptan-2-yl)-4-fluorobenzoic acid
CID 54594790
2-amino-5-[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-4-fluorobenzoic acid
CID 98124961
(E)-3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chlorophenyl]prop-2-enoic acid
CID 109375834
methyl 6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxylate
CID 133269783

Frequently Asked Questions

What is the IUPAC name of [2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]urea?
The IUPAC name of [2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]urea (CID 122139589) is [2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]urea.
What is the SMILES notation for [2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]urea?
The canonical SMILES for [2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]urea is NC(=O)Nc1ccccc1N1CC2CCC1C2.
What is the InChIKey of [2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]urea?
The InChIKey is DSWGTNZUGVJLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-13(17)15-11-3-1-2-4-12(11)16-8-9-5-6-10(16)7-9/h1-4,9-10H,5-8H2,(H3,14,15,17).
What are the key properties of [2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]urea?
[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]urea has a molecular weight of 231.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]urea is sourced from PubChem (CID 122139589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).