4-[(E)-3-methyl-3-nitrosobut-1-enyl]azulene

C15H15NO — CID 87882154

IUPAC4-[(E)-3-methyl-3-nitrosobut-1-enyl]azulene
SMILESCC(C)(/C=C/c1ccccc2cccc1-2)N=O
InChIInChI=1S/C15H15NO/c1-15(2,16-17)11-10-13-7-4-3-6-12-8-5-9-14(12)13/h3-11H,1-2H3/b11-10+
InChIKeyHWVKGXMJAODSEG-ZHACJKMWSA-N
MW225.29 g/mol
LogP4.35
Rot. Bonds3

About 4-[(E)-3-methyl-3-nitrosobut-1-enyl]azulene

4-[(E)-3-methyl-3-nitrosobut-1-enyl]azulene (PubChem CID 87882154) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(E)-3-methyl-3-nitrosobut-1-enyl]azulene.

Molecular Properties

Compound Name4-[(E)-3-methyl-3-nitrosobut-1-enyl]azulene
PubChem CID87882154
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name4-[(E)-3-methyl-3-nitrosobut-1-enyl]azulene
SMILESCC(C)(/C=C/c1ccccc2cccc1-2)N=O
InChIInChI=1S/C15H15NO/c1-15(2,16-17)11-10-13-7-4-3-6-12-8-5-9-14(12)13/h3-11H,1-2H3/b11-10+
InChIKeyHWVKGXMJAODSEG-ZHACJKMWSA-N
XLogP4.35
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-methyl-3-nitrosobut-1-enyl]azulene?
The IUPAC name of 4-[(E)-3-methyl-3-nitrosobut-1-enyl]azulene (CID 87882154) is 4-[(E)-3-methyl-3-nitrosobut-1-enyl]azulene.
What is the SMILES notation for 4-[(E)-3-methyl-3-nitrosobut-1-enyl]azulene?
The canonical SMILES for 4-[(E)-3-methyl-3-nitrosobut-1-enyl]azulene is CC(C)(/C=C/c1ccccc2cccc1-2)N=O.
What is the InChIKey of 4-[(E)-3-methyl-3-nitrosobut-1-enyl]azulene?
The InChIKey is HWVKGXMJAODSEG-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H15NO/c1-15(2,16-17)11-10-13-7-4-3-6-12-8-5-9-14(12)13/h3-11H,1-2H3/b11-10+.
What are the key properties of 4-[(E)-3-methyl-3-nitrosobut-1-enyl]azulene?
4-[(E)-3-methyl-3-nitrosobut-1-enyl]azulene has a molecular weight of 225.29 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-methyl-3-nitrosobut-1-enyl]azulene is sourced from PubChem (CID 87882154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).