bicyclo[2.2.0]hexa-1,3,5-triene;urea

C7H8N2O — CID 67569025

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;urea
SMILESNC(N)=O.c1cc2ccc1-2
InChIInChI=1S/C6H4.CH4N2O/c1-2-6-4-3-5(1)6;2-1(3)4/h1-4H;(H4,2,3,4)
InChIKeyNBWKDNFZXKFNGY-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.69
Rot. Bonds

About bicyclo[2.2.0]hexa-1,3,5-triene;urea

bicyclo[2.2.0]hexa-1,3,5-triene;urea (PubChem CID 67569025) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;urea.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;urea
PubChem CID67569025
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;urea
SMILESNC(N)=O.c1cc2ccc1-2
InChIInChI=1S/C6H4.CH4N2O/c1-2-6-4-3-5(1)6;2-1(3)4/h1-4H;(H4,2,3,4)
InChIKeyNBWKDNFZXKFNGY-UHFFFAOYSA-N
XLogP0.69
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;urea?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;urea (CID 67569025) is bicyclo[2.2.0]hexa-1,3,5-triene;urea.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;urea?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;urea is NC(N)=O.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;urea?
The InChIKey is NBWKDNFZXKFNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.CH4N2O/c1-2-6-4-3-5(1)6;2-1(3)4/h1-4H;(H4,2,3,4).
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;urea?
bicyclo[2.2.0]hexa-1,3,5-triene;urea has a molecular weight of 136.15 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;urea is sourced from PubChem (CID 67569025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).