benzene;urea

C7H10N2O — CID 18372414

IUPACbenzene;urea
SMILESNC(N)=O.c1ccccc1
InChIInChI=1S/C6H6.CH4N2O/c1-2-4-6-5-3-1;2-1(3)4/h1-6H;(H4,2,3,4)
InChIKeyNAIUWOLIUQWZDU-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.71
Rot. Bonds

About benzene;urea

benzene;urea (PubChem CID 18372414) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is benzene;urea.

Molecular Properties

Compound Namebenzene;urea
PubChem CID18372414
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Namebenzene;urea
SMILESNC(N)=O.c1ccccc1
InChIInChI=1S/C6H6.CH4N2O/c1-2-4-6-5-3-1;2-1(3)4/h1-6H;(H4,2,3,4)
InChIKeyNAIUWOLIUQWZDU-UHFFFAOYSA-N
XLogP0.71
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzene;urea?
The IUPAC name of benzene;urea (CID 18372414) is benzene;urea.
What is the SMILES notation for benzene;urea?
The canonical SMILES for benzene;urea is NC(N)=O.c1ccccc1.
What is the InChIKey of benzene;urea?
The InChIKey is NAIUWOLIUQWZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.CH4N2O/c1-2-4-6-5-3-1;2-1(3)4/h1-6H;(H4,2,3,4).
What are the key properties of benzene;urea?
benzene;urea has a molecular weight of 138.17 g/mol, XLogP of 0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;urea is sourced from PubChem (CID 18372414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).