chromium(3+);2-methylprop-2-enoate;chloride

C4H5ClCrO2+ — CID 19738661

IUPACchromium(3+);2-methylprop-2-enoate;chloride
SMILESC=C(C)C(=O)[O-].[Cl-].[Cr+3]
InChIInChI=1S/C4H6O2.ClH.Cr/c1-3(2)4(5)6;;/h1H2,2H3,(H,5,6);1H;/q;;+3/p-2
InChIKeyFVESWZUSWBBVJY-UHFFFAOYSA-L
MW172.53 g/mol
LogP-3.69
Rot. Bonds1

About chromium(3+);2-methylprop-2-enoate;chloride

chromium(3+);2-methylprop-2-enoate;chloride (PubChem CID 19738661) has the molecular formula C4H5ClCrO2+ and a molecular weight of 172.53 g/mol. Its IUPAC name is chromium(3+);2-methylprop-2-enoate;chloride.

Molecular Properties

Compound Namechromium(3+);2-methylprop-2-enoate;chloride
PubChem CID19738661
Molecular FormulaC4H5ClCrO2+
Molecular Weight172.53 g/mol
Exact Mass171.94
IUPAC Namechromium(3+);2-methylprop-2-enoate;chloride
SMILESC=C(C)C(=O)[O-].[Cl-].[Cr+3]
InChIInChI=1S/C4H6O2.ClH.Cr/c1-3(2)4(5)6;;/h1H2,2H3,(H,5,6);1H;/q;;+3/p-2
InChIKeyFVESWZUSWBBVJY-UHFFFAOYSA-L
XLogP-3.69
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.53
LogP ≤ 5-3.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

calcium;2-methylprop-2-enoate;chloride
CID 174912380
2-methylprop-2-enoate
CID 19005746
gadolinium(3+);tris(2-methylprop-2-enoate)
CID 162156326
hexakis(2-methylprop-2-enoate);molybdenum
CID 173015670
bis(2-methylprop-2-enoate);samarium
CID 175299700
sodium;ethene;2-methylprop-2-enoate
CID 23688925
CID 159432817
CID 159432817
tris(cyclododecane);bis(2-methylprop-2-enoate)
CID 22328247
2-methylprop-2-enoate;trifluoromethane
CID 158491697
potassium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 23715908
sodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 159840606
2-methylprop-2-enoate isocyanate
CID 86653408

Frequently Asked Questions

What is the IUPAC name of chromium(3+);2-methylprop-2-enoate;chloride?
The IUPAC name of chromium(3+);2-methylprop-2-enoate;chloride (CID 19738661) is chromium(3+);2-methylprop-2-enoate;chloride.
What is the SMILES notation for chromium(3+);2-methylprop-2-enoate;chloride?
The canonical SMILES for chromium(3+);2-methylprop-2-enoate;chloride is C=C(C)C(=O)[O-].[Cl-].[Cr+3].
What is the InChIKey of chromium(3+);2-methylprop-2-enoate;chloride?
The InChIKey is FVESWZUSWBBVJY-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O2.ClH.Cr/c1-3(2)4(5)6;;/h1H2,2H3,(H,5,6);1H;/q;;+3/p-2.
What are the key properties of chromium(3+);2-methylprop-2-enoate;chloride?
chromium(3+);2-methylprop-2-enoate;chloride has a molecular weight of 172.53 g/mol, XLogP of -3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);2-methylprop-2-enoate;chloride is sourced from PubChem (CID 19738661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).