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

C11H22N2O2 — CID 170163545

IUPAC1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea
SMILESCC1(C)C2CCC1(C)C(O)C2.NC(N)=O
InChIInChI=1S/C10H18O.CH4N2O/c1-9(2)7-4-5-10(9,3)8(11)6-7;2-1(3)4/h7-8,11H,4-6H2,1-3H3;(H4,2,3,4)
InChIKeyJLRAAMWYZMOTGX-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.22
Rot. Bonds

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

1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea (PubChem CID 170163545) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea.

Molecular Properties

Compound Name1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea
PubChem CID170163545
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea
SMILESCC1(C)C2CCC1(C)C(O)C2.NC(N)=O
InChIInChI=1S/C10H18O.CH4N2O/c1-9(2)7-4-5-10(9,3)8(11)6-7;2-1(3)4/h7-8,11H,4-6H2,1-3H3;(H4,2,3,4)
InChIKeyJLRAAMWYZMOTGX-UHFFFAOYSA-N
XLogP1.22
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol)
CID 174915941
hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091
phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175476100
formic acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175147458
oxolane-2,5-dione;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174877215
methyl prop-2-enoate;(1S,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174921390
1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 53442813
(1S,4R)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide
CID 55277258
octanoic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175142165
(1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 135369493

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea?
The IUPAC name of 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea (CID 170163545) is 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea.
What is the SMILES notation for 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea?
The canonical SMILES for 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea is CC1(C)C2CCC1(C)C(O)C2.NC(N)=O.
What is the InChIKey of 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea?
The InChIKey is JLRAAMWYZMOTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O.CH4N2O/c1-9(2)7-4-5-10(9,3)8(11)6-7;2-1(3)4/h7-8,11H,4-6H2,1-3H3;(H4,2,3,4).
What are the key properties of 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea?
1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea has a molecular weight of 214.31 g/mol, XLogP of 1.22, 0 rotatable bonds, 3 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-ol;urea is sourced from PubChem (CID 170163545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).