1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea

C11H20N2O2 — CID 162060866

IUPAC1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea
SMILESCC12CCC(CC1=O)C2(C)C.NC(N)=O
InChIInChI=1S/C10H16O.CH4N2O/c1-9(2)7-4-5-10(9,3)8(11)6-7;2-1(3)4/h7H,4-6H2,1-3H3;(H4,2,3,4)
InChIKeyYZVAJNRCRBXKSL-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.43
Rot. Bonds

About 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea

1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea (PubChem CID 162060866) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea.

Molecular Properties

Compound Name1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea
PubChem CID162060866
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea
SMILESCC12CCC(CC1=O)C2(C)C.NC(N)=O
InChIInChI=1S/C10H16O.CH4N2O/c1-9(2)7-4-5-10(9,3)8(11)6-7;2-1(3)4/h7H,4-6H2,1-3H3;(H4,2,3,4)
InChIKeyYZVAJNRCRBXKSL-UHFFFAOYSA-N
XLogP1.43
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Diaminomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 54290217
Camphor water
CID 67910133
3-(1,7-Dimethyl-2-oxobicyclo[2.2.1]hept-7-yl)propanamide
CID 388758
1-Ethyl-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione
CID 20591835
CID 21979408
CID 21979408
7,7-Dimethyl-1-propylbicyclo[2.2.1]heptane-2,3-dione
CID 22662531
1-(2-Deuteriopropyl)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione
CID 54098703
7,7-Dimethyl-1-(3-methylbutanoyl)bicyclo[2.2.1]heptan-2-one
CID 58170185
Propane;1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione
CID 67827830
1-(2,2-Dimethylpropanoyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 68169196
7,7-Dimethyl-1-propanoylbicyclo[2.2.1]heptan-2-one
CID 68170100
Azane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 68529259

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea?
The IUPAC name of 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea (CID 162060866) is 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea.
What is the SMILES notation for 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea?
The canonical SMILES for 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea is CC12CCC(CC1=O)C2(C)C.NC(N)=O.
What is the InChIKey of 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea?
The InChIKey is YZVAJNRCRBXKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O.CH4N2O/c1-9(2)7-4-5-10(9,3)8(11)6-7;2-1(3)4/h7H,4-6H2,1-3H3;(H4,2,3,4).
What are the key properties of 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea?
1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea has a molecular weight of 212.29 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea is sourced from PubChem (CID 162060866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).