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

C9H10MnN2O5 — CID 67331289

IUPAC2-hydroxypropanoate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+)
SMILESCC(O)C(=O)[O-].O=C([O-])C=Cc1cnc[nH]1.[Mn+2]
InChIInChI=1S/C6H6N2O2.C3H6O3.Mn/c9-6(10)2-1-5-3-7-4-8-5;1-2(4)3(5)6;/h1-4H,(H,7,8)(H,9,10);2,4H,1H3,(H,5,6);/q;;+2/p-2
InChIKeyKFVLMRSEGCHHQF-UHFFFAOYSA-L
MW281.13 g/mol
LogP-2.71
Rot. Bonds3

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

2-hydroxypropanoate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+) (PubChem CID 67331289) has the molecular formula C9H10MnN2O5 and a molecular weight of 281.13 g/mol. Its IUPAC name is 2-hydroxypropanoate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+).

Molecular Properties

Compound Name2-hydroxypropanoate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+)
PubChem CID67331289
Molecular FormulaC9H10MnN2O5
Molecular Weight281.13 g/mol
Exact Mass281.00
IUPAC Name2-hydroxypropanoate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+)
SMILESCC(O)C(=O)[O-].O=C([O-])C=Cc1cnc[nH]1.[Mn+2]
InChIInChI=1S/C6H6N2O2.C3H6O3.Mn/c9-6(10)2-1-5-3-7-4-8-5;1-2(4)3(5)6;/h1-4H,(H,7,8)(H,9,10);2,4H,1H3,(H,5,6);/q;;+2/p-2
InChIKeyKFVLMRSEGCHHQF-UHFFFAOYSA-L
XLogP-2.71
TPSA129.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.13
LogP ≤ 5-2.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
tris(2-hydroxy-2-(4-hydroxyphenyl)acetate);tris(3-(1H-imidazol-5-yl)prop-2-enoate);molybdenum
CID 173064203
2-carboxyphenolate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+)
CID 67332350
(E)-1-(1H-imidazol-5-yl)-4-methylpent-1-en-3-one;molecular hydrogen
CID 167492334
ethane;(E)-3-(1H-imidazol-5-yl)prop-2-enoic acid
CID 90887883
ethane;(E)-4-(1H-imidazol-5-yl)but-3-en-2-one
CID 91008820
dizinc;2-hydroxypropane-1,2,3-tricarboxylate;3-(1H-imidazol-5-yl)prop-2-enoate
CID 67334141
3-(1H-imidazol-5-yl)prop-2-enoic acid
CID 1178
3-(1H-imidazol-5-yl)-N-methylprop-2-enamide
CID 91343948
(E)-N-ethyl-3-(1H-imidazol-5-yl)prop-2-enamide
CID 25129634

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+)?
The IUPAC name of 2-hydroxypropanoate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+) (CID 67331289) is 2-hydroxypropanoate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+).
What is the SMILES notation for 2-hydroxypropanoate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+)?
The canonical SMILES for 2-hydroxypropanoate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+) is CC(O)C(=O)[O-].O=C([O-])C=Cc1cnc[nH]1.[Mn+2].
What is the InChIKey of 2-hydroxypropanoate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+)?
The InChIKey is KFVLMRSEGCHHQF-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H6N2O2.C3H6O3.Mn/c9-6(10)2-1-5-3-7-4-8-5;1-2(4)3(5)6;/h1-4H,(H,7,8)(H,9,10);2,4H,1H3,(H,5,6);/q;;+2/p-2.
What are the key properties of 2-hydroxypropanoate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+)?
2-hydroxypropanoate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+) has a molecular weight of 281.13 g/mol, XLogP of -2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+) is sourced from PubChem (CID 67331289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).