urea

CH4N2O — CID 1176

IUPACurea
SMILESNC(N)=O
InChIInChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
InChIKeyXSQUKJJJFZCRTK-UHFFFAOYSA-N
MW60.06 g/mol
LogP-0.98
Rot. Bonds

About urea

urea (PubChem CID 1176) has the molecular formula CH4N2O and a molecular weight of 60.06 g/mol. Its IUPAC name is urea.

Molecular Properties

Compound Nameurea
PubChem CID1176
Molecular FormulaCH4N2O
Molecular Weight60.06 g/mol
Exact Mass60.03
IUPAC Nameurea
SMILESNC(N)=O
InChIInChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
InChIKeyXSQUKJJJFZCRTK-UHFFFAOYSA-N
XLogP-0.98
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50060.06
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Urea C-14
CID 11457650
Urea C-13
CID 636363
Urea hydrochloride
CID 101721
(2H4)Urea
CID 2723980
Urea N-15
CID 10197611
Urea-13C-15N2
CID 16213489
Urea hydrobromide
CID 53411231
Uronium
CID 59101662
Urea mono N-15
CID 131953165
diamino(111C)methanone
CID 451202
Copper urea
CID 21657412
Ammonia urea
CID 22227373

Frequently Asked Questions

What is the IUPAC name of urea?
The IUPAC name of urea (CID 1176) is urea.
What is the SMILES notation for urea?
The canonical SMILES for urea is NC(N)=O.
What is the InChIKey of urea?
The InChIKey is XSQUKJJJFZCRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4).
What are the key properties of urea?
urea has a molecular weight of 60.06 g/mol, XLogP of -0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for urea is sourced from PubChem (CID 1176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).