bicyclo[4.1.0]hepta-1,3,5-triene;hydroxyurea

C8H10N2O2 — CID 19082332

IUPACbicyclo[4.1.0]hepta-1,3,5-triene;hydroxyurea
SMILESNC(=O)NO.c1ccc2c(c1)C2
InChIInChI=1S/C7H6.CH4N2O2/c1-2-4-7-5-6(7)3-1;2-1(4)3-5/h1-4H,5H2;5H,(H3,2,3,4)
InChIKeyURTWQHWKRVCIHB-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.63
Rot. Bonds

About bicyclo[4.1.0]hepta-1,3,5-triene;hydroxyurea

bicyclo[4.1.0]hepta-1,3,5-triene;hydroxyurea (PubChem CID 19082332) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is bicyclo[4.1.0]hepta-1,3,5-triene;hydroxyurea.

Molecular Properties

Compound Namebicyclo[4.1.0]hepta-1,3,5-triene;hydroxyurea
PubChem CID19082332
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Namebicyclo[4.1.0]hepta-1,3,5-triene;hydroxyurea
SMILESNC(=O)NO.c1ccc2c(c1)C2
InChIInChI=1S/C7H6.CH4N2O2/c1-2-4-7-5-6(7)3-1;2-1(4)3-5/h1-4H,5H2;5H,(H3,2,3,4)
InChIKeyURTWQHWKRVCIHB-UHFFFAOYSA-N
XLogP0.63
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 18766675
Ethylbenzene;urea
CID 19774738
Prop-1-en-2-ylbenzene;urea
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Bicyclo[4.1.0]hepta-1,3,5-triene;hydroxylamine
CID 21883402
Bicyclo[4.1.0]hepta-1,3,5-triene;urea
CID 21939640
bicyclo[4.1.0]hepta-1,3,5-triene;N-hydroxypent-4-enamide
CID 22495458
bicyclo[4.1.0]hepta-1,3,5-triene;N-methylhydroxylamine
CID 22626300
Styrene;urea
CID 23043454
Toluene;urea
CID 67005065
Formaldehyde;toluene;urea
CID 67705858
Amino carbamate;toluene
CID 70556026
Urea alpha-methyl styrene
CID 86745846

Frequently Asked Questions

What is the IUPAC name of bicyclo[4.1.0]hepta-1,3,5-triene;hydroxyurea?
The IUPAC name of bicyclo[4.1.0]hepta-1,3,5-triene;hydroxyurea (CID 19082332) is bicyclo[4.1.0]hepta-1,3,5-triene;hydroxyurea.
What is the SMILES notation for bicyclo[4.1.0]hepta-1,3,5-triene;hydroxyurea?
The canonical SMILES for bicyclo[4.1.0]hepta-1,3,5-triene;hydroxyurea is NC(=O)NO.c1ccc2c(c1)C2.
What is the InChIKey of bicyclo[4.1.0]hepta-1,3,5-triene;hydroxyurea?
The InChIKey is URTWQHWKRVCIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6.CH4N2O2/c1-2-4-7-5-6(7)3-1;2-1(4)3-5/h1-4H,5H2;5H,(H3,2,3,4).
What are the key properties of bicyclo[4.1.0]hepta-1,3,5-triene;hydroxyurea?
bicyclo[4.1.0]hepta-1,3,5-triene;hydroxyurea has a molecular weight of 166.18 g/mol, XLogP of 0.63, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.1.0]hepta-1,3,5-triene;hydroxyurea is sourced from PubChem (CID 19082332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).