methyl (Z)-3-chloro-2-methyl-3-(methylamino)prop-2-enoate

C6H10ClNO2 — CID 166928500

IUPACmethyl (Z)-3-chloro-2-methyl-3-(methylamino)prop-2-enoate
SMILESCN/C(Cl)=C(\C)C(=O)OC
InChIInChI=1S/C6H10ClNO2/c1-4(5(7)8-2)6(9)10-3/h8H,1-3H3/b5-4+
InChIKeyANLIZDPCSGNYON-SNAWJCMRSA-N
MW163.60 g/mol
LogP0.85
Rot. Bonds2

About methyl (Z)-3-chloro-2-methyl-3-(methylamino)prop-2-enoate

methyl (Z)-3-chloro-2-methyl-3-(methylamino)prop-2-enoate (PubChem CID 166928500) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is methyl (Z)-3-chloro-2-methyl-3-(methylamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-chloro-2-methyl-3-(methylamino)prop-2-enoate
PubChem CID166928500
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Namemethyl (Z)-3-chloro-2-methyl-3-(methylamino)prop-2-enoate
SMILESCN/C(Cl)=C(\C)C(=O)OC
InChIInChI=1S/C6H10ClNO2/c1-4(5(7)8-2)6(9)10-3/h8H,1-3H3/b5-4+
InChIKeyANLIZDPCSGNYON-SNAWJCMRSA-N
XLogP0.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2,3-dimethylbut-2-enedioyl dichloride
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dimethyl oxalate;hydrochloride
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methyl (Z)-3-(methoxycarbonylamino)-2-methylbut-2-enoate
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CID 87704486
CID 87704486
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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-chloro-2-methyl-3-(methylamino)prop-2-enoate?
The IUPAC name of methyl (Z)-3-chloro-2-methyl-3-(methylamino)prop-2-enoate (CID 166928500) is methyl (Z)-3-chloro-2-methyl-3-(methylamino)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-chloro-2-methyl-3-(methylamino)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-chloro-2-methyl-3-(methylamino)prop-2-enoate is CN/C(Cl)=C(\C)C(=O)OC.
What is the InChIKey of methyl (Z)-3-chloro-2-methyl-3-(methylamino)prop-2-enoate?
The InChIKey is ANLIZDPCSGNYON-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H10ClNO2/c1-4(5(7)8-2)6(9)10-3/h8H,1-3H3/b5-4+.
What are the key properties of methyl (Z)-3-chloro-2-methyl-3-(methylamino)prop-2-enoate?
methyl (Z)-3-chloro-2-methyl-3-(methylamino)prop-2-enoate has a molecular weight of 163.60 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-chloro-2-methyl-3-(methylamino)prop-2-enoate is sourced from PubChem (CID 166928500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).