1,3-dimethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

C9H16N2O2 — CID 59563981

IUPAC1,3-dimethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESCNC(=O)N(C)C1CC2CCC1O2
InChIInChI=1S/C9H16N2O2/c1-10-9(12)11(2)7-5-6-3-4-8(7)13-6/h6-8H,3-5H2,1-2H3,(H,10,12)
InChIKeyIALCHQSREKZSLZ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.58
Rot. Bonds1

About 1,3-dimethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

1,3-dimethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (PubChem CID 59563981) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1,3-dimethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.

Molecular Properties

Compound Name1,3-dimethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
PubChem CID59563981
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1,3-dimethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESCNC(=O)N(C)C1CC2CCC1O2
InChIInChI=1S/C9H16N2O2/c1-10-9(12)11(2)7-5-6-3-4-8(7)13-6/h6-8H,3-5H2,1-2H3,(H,10,12)
InChIKeyIALCHQSREKZSLZ-UHFFFAOYSA-N
XLogP0.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N'-(tetrahydro-2-furanylmethyl)urea
CID 2886315
1-[(1-Ethylcyclopropyl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 75380040
1-Cyclohexyl-3-[[(2~{r})-Oxolan-2-Yl]methyl]urea
CID 681640
1-(7-Oxabicyclo[2.2.1]heptan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115694648
CID 59368102
CID 59368102
7-Oxabicyclo[2.2.1]heptan-2-ylurea
CID 69640870
1-[1-(Oxolan-2-yl)ethyl]-3-propan-2-ylurea
CID 115582549
1-(Iodomethyl)-3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 130256868
1,3-Dimethyl-1-[1-(5-methyloxolan-2-yl)ethyl]urea
CID 130256884
Ethane;1-[2-methoxy-1-(oxolan-2-yl)ethyl]-3-methylurea
CID 178808515
1-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-3-propan-2-ylurea
CID 178908733
1-[2-Methoxy-1-(oxolan-2-yl)ethyl]-3-propan-2-ylurea
CID 178908765

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The IUPAC name of 1,3-dimethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (CID 59563981) is 1,3-dimethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.
What is the SMILES notation for 1,3-dimethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The canonical SMILES for 1,3-dimethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is CNC(=O)N(C)C1CC2CCC1O2.
What is the InChIKey of 1,3-dimethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The InChIKey is IALCHQSREKZSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-10-9(12)11(2)7-5-6-3-4-8(7)13-6/h6-8H,3-5H2,1-2H3,(H,10,12).
What are the key properties of 1,3-dimethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
1,3-dimethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)urea has a molecular weight of 184.24 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is sourced from PubChem (CID 59563981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).