adamantane;urea

C11H20N2O — CID 68761520

IUPACadamantane;urea
SMILESC1C2CC3CC1CC(C2)C3.NC(N)=O
InChIInChI=1S/C10H16.CH4N2O/c1-7-2-9-4-8(1)5-10(3-7)6-9;2-1(3)4/h7-10H,1-6H2;(H4,2,3,4)
InChIKeyMWFBNPVTFPRUHI-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.86
Rot. Bonds

About adamantane;urea

adamantane;urea (PubChem CID 68761520) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is adamantane;urea.

Molecular Properties

Compound Nameadamantane;urea
PubChem CID68761520
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Nameadamantane;urea
SMILESC1C2CC3CC1CC(C2)C3.NC(N)=O
InChIInChI=1S/C10H16.CH4N2O/c1-7-2-9-4-8(1)5-10(3-7)6-9;2-1(3)4/h7-10H,1-6H2;(H4,2,3,4)
InChIKeyMWFBNPVTFPRUHI-UHFFFAOYSA-N
XLogP1.86
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of adamantane;urea?
The IUPAC name of adamantane;urea (CID 68761520) is adamantane;urea.
What is the SMILES notation for adamantane;urea?
The canonical SMILES for adamantane;urea is C1C2CC3CC1CC(C2)C3.NC(N)=O.
What is the InChIKey of adamantane;urea?
The InChIKey is MWFBNPVTFPRUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.CH4N2O/c1-7-2-9-4-8(1)5-10(3-7)6-9;2-1(3)4/h7-10H,1-6H2;(H4,2,3,4).
What are the key properties of adamantane;urea?
adamantane;urea has a molecular weight of 196.29 g/mol, XLogP of 1.86, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;urea is sourced from PubChem (CID 68761520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).