1-azulen-1-ylazulene;2-methylprop-2-enoic acid

C24H20O2 — CID 175754594

IUPAC1-azulen-1-ylazulene;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.c1ccc2ccc(-c3ccc4cccccc3-4)c-2cc1
InChIInChI=1S/C20H14.C4H6O2/c1-3-7-15-11-13-19(17(15)9-5-1)20-14-12-16-8-4-2-6-10-18(16)20;1-3(2)4(5)6/h1-14H;1H2,2H3,(H,5,6)
InChIKeyJDHSJRGJUMTHSP-UHFFFAOYSA-N
MW340.42 g/mol
LogP6.21
Rot. Bonds2

About 1-azulen-1-ylazulene;2-methylprop-2-enoic acid

1-azulen-1-ylazulene;2-methylprop-2-enoic acid (PubChem CID 175754594) has the molecular formula C24H20O2 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-azulen-1-ylazulene;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name1-azulen-1-ylazulene;2-methylprop-2-enoic acid
PubChem CID175754594
Molecular FormulaC24H20O2
Molecular Weight340.42 g/mol
Exact Mass340.15
IUPAC Name1-azulen-1-ylazulene;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.c1ccc2ccc(-c3ccc4cccccc3-4)c-2cc1
InChIInChI=1S/C20H14.C4H6O2/c1-3-7-15-11-13-19(17(15)9-5-1)20-14-12-16-8-4-2-6-10-18(16)20;1-3(2)4(5)6/h1-14H;1H2,2H3,(H,5,6)
InChIKeyJDHSJRGJUMTHSP-UHFFFAOYSA-N
XLogP6.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-azulen-1-ylazulene;2-methylprop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

biphenylene;2-methylprop-2-enoic acid
CID 174864090
1-azulen-1-ylazulene;prop-2-enoic acid
CID 175754625
2-methylprop-2-enoic acid;7-thiabicyclo[4.1.0]hepta-1,3,5-triene
CID 88725230
2-(2-methylprop-2-enoyloxy)ethyl 4-(2-phenylphenyl)benzoate
CID 174745989
bis(diphenylmethanone);2-methylprop-2-enoic acid
CID 175044660
2-methylprop-2-enoic acid;phenol;hydrofluoride
CID 174940878
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
benzene;methanol;bis(2-methylprop-2-enoic acid)
CID 175511919
methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864
biphenylene;propan-2-one
CID 174440223
CID 174682832
CID 174682832
3,4-dihydro-2,5-benzodioxocine-1,6-dione;bis(2-methylprop-2-enoic acid)
CID 158481229

Frequently Asked Questions

What is the IUPAC name of 1-azulen-1-ylazulene;2-methylprop-2-enoic acid?
The IUPAC name of 1-azulen-1-ylazulene;2-methylprop-2-enoic acid (CID 175754594) is 1-azulen-1-ylazulene;2-methylprop-2-enoic acid.
What is the SMILES notation for 1-azulen-1-ylazulene;2-methylprop-2-enoic acid?
The canonical SMILES for 1-azulen-1-ylazulene;2-methylprop-2-enoic acid is C=C(C)C(=O)O.c1ccc2ccc(-c3ccc4cccccc3-4)c-2cc1.
What is the InChIKey of 1-azulen-1-ylazulene;2-methylprop-2-enoic acid?
The InChIKey is JDHSJRGJUMTHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14.C4H6O2/c1-3-7-15-11-13-19(17(15)9-5-1)20-14-12-16-8-4-2-6-10-18(16)20;1-3(2)4(5)6/h1-14H;1H2,2H3,(H,5,6).
What are the key properties of 1-azulen-1-ylazulene;2-methylprop-2-enoic acid?
1-azulen-1-ylazulene;2-methylprop-2-enoic acid has a molecular weight of 340.42 g/mol, XLogP of 6.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azulen-1-ylazulene;2-methylprop-2-enoic acid is sourced from PubChem (CID 175754594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).