(E)-3-(2-methylacridin-9-yl)prop-2-enoic acid

C17H13NO2 — CID 170872205

IUPAC(E)-3-(2-methylacridin-9-yl)prop-2-enoic acid
SMILESCc1ccc2nc3ccccc3c(/C=C/C(=O)O)c2c1
InChIInChI=1S/C17H13NO2/c1-11-6-8-16-14(10-11)12(7-9-17(19)20)13-4-2-3-5-15(13)18-16/h2-10H,1H3,(H,19,20)/b9-7+
InChIKeyJRBGZSZPIOMNBG-VQHVLOKHSA-N
MW263.30 g/mol
LogP3.79
Rot. Bonds2

About (E)-3-(2-methylacridin-9-yl)prop-2-enoic acid

(E)-3-(2-methylacridin-9-yl)prop-2-enoic acid (PubChem CID 170872205) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (E)-3-(2-methylacridin-9-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2-methylacridin-9-yl)prop-2-enoic acid
PubChem CID170872205
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name(E)-3-(2-methylacridin-9-yl)prop-2-enoic acid
SMILESCc1ccc2nc3ccccc3c(/C=C/C(=O)O)c2c1
InChIInChI=1S/C17H13NO2/c1-11-6-8-16-14(10-11)12(7-9-17(19)20)13-4-2-3-5-15(13)18-16/h2-10H,1H3,(H,19,20)/b9-7+
InChIKeyJRBGZSZPIOMNBG-VQHVLOKHSA-N
XLogP3.79
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4,6-dimethylquinolin-2-yl)prop-2-enoic acid
CID 68678716
3-(4,6-dimethylquinolin-2-yl)prop-2-enoic acid
CID 68678717
3-(4-methyl-2-phenylphenyl)prop-2-enoic acid
CID 151863376
(E)-3-[1-[(E)-2-carboxyethenyl]naphthalen-2-yl]prop-2-enoic acid
CID 67681158
(E)-3-acridin-9-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 163359166
3-(2-formyl-5-methylphenyl)prop-2-enoic acid
CID 169460428
(E)-3-(7-methylquinolin-2-yl)prop-2-enoic acid
CID 68679824
(E)-but-2-enedioic acid;bis(6-methylquinoline)
CID 139196250
(E)-3-(2-methoxy-4-methylphenyl)(113C)prop-2-enoic acid
CID 42638699
(Z)-3-[3-(acridin-9-ylamino)phenyl]prop-2-enoic acid
CID 90679762
3-(5-methyl-2-sulfanylphenyl)prop-2-enoic acid
CID 73178070
4,6-dimethylquinazoline-2-carboxylic acid
CID 84776717

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methylacridin-9-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(2-methylacridin-9-yl)prop-2-enoic acid (CID 170872205) is (E)-3-(2-methylacridin-9-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(2-methylacridin-9-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(2-methylacridin-9-yl)prop-2-enoic acid is Cc1ccc2nc3ccccc3c(/C=C/C(=O)O)c2c1.
What is the InChIKey of (E)-3-(2-methylacridin-9-yl)prop-2-enoic acid?
The InChIKey is JRBGZSZPIOMNBG-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H13NO2/c1-11-6-8-16-14(10-11)12(7-9-17(19)20)13-4-2-3-5-15(13)18-16/h2-10H,1H3,(H,19,20)/b9-7+.
What are the key properties of (E)-3-(2-methylacridin-9-yl)prop-2-enoic acid?
(E)-3-(2-methylacridin-9-yl)prop-2-enoic acid has a molecular weight of 263.30 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methylacridin-9-yl)prop-2-enoic acid is sourced from PubChem (CID 170872205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).