bicyclo[2.2.1]hepta-1,3,5-trien-7-one;pyridin-2-ylurea

C13H11N3O2 — CID 67884901

IUPACbicyclo[2.2.1]hepta-1,3,5-trien-7-one;pyridin-2-ylurea
SMILESNC(=O)Nc1ccccn1.O=C1C2=CC=C1C=C2
InChIInChI=1S/C7H4O.C6H7N3O/c8-7-5-1-2-6(7)4-3-5;7-6(10)9-5-3-1-2-4-8-5/h1-4H;1-4H,(H3,7,8,9,10)
InChIKeyGZYBDTQAMHOCIY-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.56
Rot. Bonds1

About bicyclo[2.2.1]hepta-1,3,5-trien-7-one;pyridin-2-ylurea

bicyclo[2.2.1]hepta-1,3,5-trien-7-one;pyridin-2-ylurea (PubChem CID 67884901) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is bicyclo[2.2.1]hepta-1,3,5-trien-7-one;pyridin-2-ylurea.

Molecular Properties

Compound Namebicyclo[2.2.1]hepta-1,3,5-trien-7-one;pyridin-2-ylurea
PubChem CID67884901
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Namebicyclo[2.2.1]hepta-1,3,5-trien-7-one;pyridin-2-ylurea
SMILESNC(=O)Nc1ccccn1.O=C1C2=CC=C1C=C2
InChIInChI=1S/C7H4O.C6H7N3O/c8-7-5-1-2-6(7)4-3-5;7-6(10)9-5-3-1-2-4-8-5/h1-4H;1-4H,(H3,7,8,9,10)
InChIKeyGZYBDTQAMHOCIY-UHFFFAOYSA-N
XLogP1.56
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-carbamoyl-3-pyridin-2-ylurea
CID 564989
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
pyridin-2-ylthiourea
CID 1490491
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
disodium;2-phosphonato-N-pyridin-2-ylacetamide
CID 53322963
3-amino-3-methyl-N-pyridin-2-ylbutanamide
CID 64684321
2-methylsulfanyl-N-pyridin-2-ylacetamide
CID 130725350
2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
CID 115180971
pyridazin-3-ylurea
CID 13080987
pyridine;N-pyridin-2-ylacetamide
CID 67298573
molecular hydrogen;N-pyridin-2-ylbutanamide
CID 142960531
1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide
CID 145416212

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hepta-1,3,5-trien-7-one;pyridin-2-ylurea?
The IUPAC name of bicyclo[2.2.1]hepta-1,3,5-trien-7-one;pyridin-2-ylurea (CID 67884901) is bicyclo[2.2.1]hepta-1,3,5-trien-7-one;pyridin-2-ylurea.
What is the SMILES notation for bicyclo[2.2.1]hepta-1,3,5-trien-7-one;pyridin-2-ylurea?
The canonical SMILES for bicyclo[2.2.1]hepta-1,3,5-trien-7-one;pyridin-2-ylurea is NC(=O)Nc1ccccn1.O=C1C2=CC=C1C=C2.
What is the InChIKey of bicyclo[2.2.1]hepta-1,3,5-trien-7-one;pyridin-2-ylurea?
The InChIKey is GZYBDTQAMHOCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4O.C6H7N3O/c8-7-5-1-2-6(7)4-3-5;7-6(10)9-5-3-1-2-4-8-5/h1-4H;1-4H,(H3,7,8,9,10).
What are the key properties of bicyclo[2.2.1]hepta-1,3,5-trien-7-one;pyridin-2-ylurea?
bicyclo[2.2.1]hepta-1,3,5-trien-7-one;pyridin-2-ylurea has a molecular weight of 241.25 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hepta-1,3,5-trien-7-one;pyridin-2-ylurea is sourced from PubChem (CID 67884901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).