chloromethane;dimethylamino 2-methylprop-2-enoate

C7H14ClNO2 — CID 172778476

IUPACchloromethane;dimethylamino 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ON(C)C.CCl
InChIInChI=1S/C6H11NO2.CH3Cl/c1-5(2)6(8)9-7(3)4;1-2/h1H2,2-4H3;1H3
InChIKeyNXTMPURJMUKOLQ-UHFFFAOYSA-N
MW179.65 g/mol
LogP1.44
Rot. Bonds2

About chloromethane;dimethylamino 2-methylprop-2-enoate

chloromethane;dimethylamino 2-methylprop-2-enoate (PubChem CID 172778476) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is chloromethane;dimethylamino 2-methylprop-2-enoate.

Molecular Properties

Compound Namechloromethane;dimethylamino 2-methylprop-2-enoate
PubChem CID172778476
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Namechloromethane;dimethylamino 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ON(C)C.CCl
InChIInChI=1S/C6H11NO2.CH3Cl/c1-5(2)6(8)9-7(3)4;1-2/h1H2,2-4H3;1H3
InChIKeyNXTMPURJMUKOLQ-UHFFFAOYSA-N
XLogP1.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
(dipropylamino) 2-methylprop-2-enoate
CID 54482611
dimethylamino 2-methylidenepentanoate
CID 19885812
1-O-(dimethylamino) 3-O-ethyl 2-methylidenepropanedioate
CID 175060878
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
methyl 2-methylprop-2-enoate;polane
CID 173074189
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
[2-methylbutan-2-yl(propyl)amino] 2-methylprop-2-enoate;hydrobromide
CID 173426333
1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide
CID 19073826

Frequently Asked Questions

What is the IUPAC name of chloromethane;dimethylamino 2-methylprop-2-enoate?
The IUPAC name of chloromethane;dimethylamino 2-methylprop-2-enoate (CID 172778476) is chloromethane;dimethylamino 2-methylprop-2-enoate.
What is the SMILES notation for chloromethane;dimethylamino 2-methylprop-2-enoate?
The canonical SMILES for chloromethane;dimethylamino 2-methylprop-2-enoate is C=C(C)C(=O)ON(C)C.CCl.
What is the InChIKey of chloromethane;dimethylamino 2-methylprop-2-enoate?
The InChIKey is NXTMPURJMUKOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.CH3Cl/c1-5(2)6(8)9-7(3)4;1-2/h1H2,2-4H3;1H3.
What are the key properties of chloromethane;dimethylamino 2-methylprop-2-enoate?
chloromethane;dimethylamino 2-methylprop-2-enoate has a molecular weight of 179.65 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;dimethylamino 2-methylprop-2-enoate is sourced from PubChem (CID 172778476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).