2-carboxyphenolate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+)

C13H10MnN2O5 — CID 67332350

IUPAC2-carboxyphenolate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+)
SMILESO=C(O)c1ccccc1[O-].O=C([O-])C=Cc1cnc[nH]1.[Mn+2]
InChIInChI=1S/C7H6O3.C6H6N2O2.Mn/c8-6-4-2-1-3-5(6)7(9)10;9-6(10)2-1-5-3-7-4-8-5;/h1-4,8H,(H,9,10);1-4H,(H,7,8)(H,9,10);/q;;+2/p-2
InChIKeyUVBNQAICGAQIEL-UHFFFAOYSA-L
MW329.17 g/mol
LogP-0.37
Rot. Bonds3

About 2-carboxyphenolate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+)

2-carboxyphenolate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+) (PubChem CID 67332350) has the molecular formula C13H10MnN2O5 and a molecular weight of 329.17 g/mol. Its IUPAC name is 2-carboxyphenolate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+).

Molecular Properties

Compound Name2-carboxyphenolate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+)
PubChem CID67332350
Molecular FormulaC13H10MnN2O5
Molecular Weight329.17 g/mol
Exact Mass329.00
IUPAC Name2-carboxyphenolate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+)
SMILESO=C(O)c1ccccc1[O-].O=C([O-])C=Cc1cnc[nH]1.[Mn+2]
InChIInChI=1S/C7H6O3.C6H6N2O2.Mn/c8-6-4-2-1-3-5(6)7(9)10;9-6(10)2-1-5-3-7-4-8-5;/h1-4,8H,(H,9,10);1-4H,(H,7,8)(H,9,10);/q;;+2/p-2
InChIKeyUVBNQAICGAQIEL-UHFFFAOYSA-L
XLogP-0.37
TPSA129.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(3-(1H-imidazol-5-yl)prop-2-enoate);manganese(2+);hydrochloride
CID 67332546
3-(1H-imidazol-5-yl)prop-2-enoate
CID 5460648
potassium 3-(1H-imidazol-5-yl)prop-2-enoate
CID 67892362
2-hydroxypropanoate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+)
CID 67331289
ethane;(E)-3-(1H-imidazol-5-yl)prop-2-enoic acid
CID 90887883
2-carboxyphenolate carbonate
CID 54676053
dicalcium bis(2-carboxyphenolate)
CID 158572383
2-carboxyphenolate;gold(1+)
CID 54682314
potassium 2-carboxyphenolate
CID 23689489
dimagnesium;tetrakis(2-carboxyphenolate)
CID 158207180
copper bis(2-carboxyphenolate)
CID 54683201
magnesium tris(2-carboxyphenolate)
CID 54714197

Frequently Asked Questions

What is the IUPAC name of 2-carboxyphenolate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+)?
The IUPAC name of 2-carboxyphenolate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+) (CID 67332350) is 2-carboxyphenolate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+).
What is the SMILES notation for 2-carboxyphenolate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+)?
The canonical SMILES for 2-carboxyphenolate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+) is O=C(O)c1ccccc1[O-].O=C([O-])C=Cc1cnc[nH]1.[Mn+2].
What is the InChIKey of 2-carboxyphenolate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+)?
The InChIKey is UVBNQAICGAQIEL-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H6O3.C6H6N2O2.Mn/c8-6-4-2-1-3-5(6)7(9)10;9-6(10)2-1-5-3-7-4-8-5;/h1-4,8H,(H,9,10);1-4H,(H,7,8)(H,9,10);/q;;+2/p-2.
What are the key properties of 2-carboxyphenolate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+)?
2-carboxyphenolate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+) has a molecular weight of 329.17 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyphenolate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+) is sourced from PubChem (CID 67332350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).