1-(3-bicyclo[3.1.0]hexanyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

C13H20N2O2 — CID 128912932

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESO=C(NC1CC2CC2C1)NC1CC2CCC1O2
InChIInChI=1S/C13H20N2O2/c16-13(14-9-4-7-3-8(7)5-9)15-11-6-10-1-2-12(11)17-10/h7-12H,1-6H2,(H2,14,15,16)
InChIKeyXWEIQZQHXVESMZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.40
Rot. Bonds2

About 1-(3-bicyclo[3.1.0]hexanyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

1-(3-bicyclo[3.1.0]hexanyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (PubChem CID 128912932) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
PubChem CID128912932
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESO=C(NC1CC2CC2C1)NC1CC2CCC1O2
InChIInChI=1S/C13H20N2O2/c16-13(14-9-4-7-3-8(7)5-9)15-11-6-10-1-2-12(11)17-10/h7-12H,1-6H2,(H2,14,15,16)
InChIKeyXWEIQZQHXVESMZ-UHFFFAOYSA-N
XLogP1.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-bicyclo[3.1.0]hexanyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea with MolForge

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Related Compounds

1-[(1-Ethylcyclopropyl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 75380040
1-(4-Methylcyclohexyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(oxolan-2-ylmethyl)urea
CID 91644519
1-(7-Oxabicyclo[2.2.1]heptan-2-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 75426454
1-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 98873432
1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 98873434
1-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea
CID 124784736
1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea
CID 124784737
1-(7-Oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea
CID 71919296
1-(3-Cyclopropylcyclohexyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 71970558
1-[3-(Cyclopropylmethoxy)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 71970570
1-[(1-Cyclopropylpyrrolidin-3-yl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 75379965
1-Cyclohexyl-1-(cyclopropylmethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 75426482

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (CID 128912932) is 1-(3-bicyclo[3.1.0]hexanyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is O=C(NC1CC2CC2C1)NC1CC2CCC1O2.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The InChIKey is XWEIQZQHXVESMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-13(14-9-4-7-3-8(7)5-9)15-11-6-10-1-2-12(11)17-10/h7-12H,1-6H2,(H2,14,15,16).
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
1-(3-bicyclo[3.1.0]hexanyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea has a molecular weight of 236.31 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is sourced from PubChem (CID 128912932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).