[6-[(E)-2-carboxyethenyl]-3-hydroxy-2-methoxyphenyl]-hydroxyazanium

C10H12NO5+ — CID 145018502

IUPAC[6-[(E)-2-carboxyethenyl]-3-hydroxy-2-methoxyphenyl]-hydroxyazanium
SMILESCOc1c(O)ccc(/C=C/C(=O)O)c1[NH2+]O
InChIInChI=1S/C10H11NO5/c1-16-10-7(12)4-2-6(9(10)11-15)3-5-8(13)14/h2-5,11-12,15H,1H3,(H,13,14)/p+1/b5-3+
InChIKeyMRWRVFHEICUIPQ-HWKANZROSA-O
MW226.21 g/mol
LogP0.08
Rot. Bonds4

About [6-[(E)-2-carboxyethenyl]-3-hydroxy-2-methoxyphenyl]-hydroxyazanium

[6-[(E)-2-carboxyethenyl]-3-hydroxy-2-methoxyphenyl]-hydroxyazanium (PubChem CID 145018502) has the molecular formula C10H12NO5+ and a molecular weight of 226.21 g/mol. Its IUPAC name is [6-[(E)-2-carboxyethenyl]-3-hydroxy-2-methoxyphenyl]-hydroxyazanium.

Molecular Properties

Compound Name[6-[(E)-2-carboxyethenyl]-3-hydroxy-2-methoxyphenyl]-hydroxyazanium
PubChem CID145018502
Molecular FormulaC10H12NO5+
Molecular Weight226.21 g/mol
Exact Mass226.07
IUPAC Name[6-[(E)-2-carboxyethenyl]-3-hydroxy-2-methoxyphenyl]-hydroxyazanium
SMILESCOc1c(O)ccc(/C=C/C(=O)O)c1[NH2+]O
InChIInChI=1S/C10H11NO5/c1-16-10-7(12)4-2-6(9(10)11-15)3-5-8(13)14/h2-5,11-12,15H,1H3,(H,13,14)/p+1/b5-3+
InChIKeyMRWRVFHEICUIPQ-HWKANZROSA-O
XLogP0.08
TPSA103.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [6-[(E)-2-carboxyethenyl]-3-hydroxy-2-methoxyphenyl]-hydroxyazanium 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

3-[2-(2,3-dihydroxypropyl)-4-hydroxy-3-methoxyphenyl]prop-2-enoic acid
CID 68861862
3-[4-hydroxy-2-(1-hydroxyhexyl)-3-methoxyphenyl]prop-2-enoic acid
CID 130228804
(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-3-methoxyphenyl]prop-2-enoic acid
CID 102317579
3-(2-amino-3,4-dimethoxyphenyl)prop-2-enoic acid
CID 139751034
(Z)-3-(2,3,4-trihydroxyphenyl)prop-2-enoic acid
CID 54583307
3-(2,3,4-trihydroxyphenyl)prop-2-enoic acid
CID 71354565
(E)-3-(3,5-dihydroxy-4-methoxyphenyl)prop-2-enoic acid
CID 101152481
ethyl 3-(4-hydroxy-2,3-dimethoxyphenyl)prop-2-enoate
CID 174504187
3-(3,4-dihydroxy-2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 137379047
3-(2,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid
CID 25201765
(E)-3-(3-hydroxy-2-iodo-4-methoxyphenyl)prop-2-enoic acid
CID 67512943
3-(4-bromo-2-hydroxyphenyl)prop-2-enoic acid
CID 169461099

Frequently Asked Questions

What is the IUPAC name of [6-[(E)-2-carboxyethenyl]-3-hydroxy-2-methoxyphenyl]-hydroxyazanium?
The IUPAC name of [6-[(E)-2-carboxyethenyl]-3-hydroxy-2-methoxyphenyl]-hydroxyazanium (CID 145018502) is [6-[(E)-2-carboxyethenyl]-3-hydroxy-2-methoxyphenyl]-hydroxyazanium.
What is the SMILES notation for [6-[(E)-2-carboxyethenyl]-3-hydroxy-2-methoxyphenyl]-hydroxyazanium?
The canonical SMILES for [6-[(E)-2-carboxyethenyl]-3-hydroxy-2-methoxyphenyl]-hydroxyazanium is COc1c(O)ccc(/C=C/C(=O)O)c1[NH2+]O.
What is the InChIKey of [6-[(E)-2-carboxyethenyl]-3-hydroxy-2-methoxyphenyl]-hydroxyazanium?
The InChIKey is MRWRVFHEICUIPQ-HWKANZROSA-O. The full InChI is InChI=1S/C10H11NO5/c1-16-10-7(12)4-2-6(9(10)11-15)3-5-8(13)14/h2-5,11-12,15H,1H3,(H,13,14)/p+1/b5-3+.
What are the key properties of [6-[(E)-2-carboxyethenyl]-3-hydroxy-2-methoxyphenyl]-hydroxyazanium?
[6-[(E)-2-carboxyethenyl]-3-hydroxy-2-methoxyphenyl]-hydroxyazanium has a molecular weight of 226.21 g/mol, XLogP of 0.08, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(E)-2-carboxyethenyl]-3-hydroxy-2-methoxyphenyl]-hydroxyazanium is sourced from PubChem (CID 145018502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).