chloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid

C11H20ClNO2 — CID 22495089

IUPACchloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid
SMILESC=CC(=O)O.C=CCN(C)CC=C.CCl
InChIInChI=1S/C7H13N.C3H4O2.CH3Cl/c1-4-6-8(3)7-5-2;1-2-3(4)5;1-2/h4-5H,1-2,6-7H2,3H3;2H,1H2,(H,4,5);1H3
InChIKeyFJEPKXFHGYIABD-UHFFFAOYSA-N
MW233.74 g/mol
LogP2.40
Rot. Bonds5

About chloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid

chloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid (PubChem CID 22495089) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is chloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid.

Molecular Properties

Compound Namechloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid
PubChem CID22495089
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Namechloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid
SMILESC=CC(=O)O.C=CCN(C)CC=C.CCl
InChIInChI=1S/C7H13N.C3H4O2.CH3Cl/c1-4-6-8(3)7-5-2;1-2-3(4)5;1-2/h4-5H,1-2,6-7H2,3H3;2H,1H2,(H,4,5);1H3
InChIKeyFJEPKXFHGYIABD-UHFFFAOYSA-N
XLogP2.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

chloromethane;chromium;prop-2-enoic acid
CID 174311629
N-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide
CID 141311417
N,N-dimethylmethanamine;prop-2-enoic acid
CID 87439346
N,N-dimethylmethanamine;prop-2-enoic acid;hydrochloride
CID 87893853
methanesulfonic acid;N-methyl-N-prop-2-enylprop-2-en-1-amine
CID 89483061
prop-2-enoic acid;2,2,2-trichloroacetic acid
CID 3054261
dichloromethane;prop-2-enoic acid
CID 87132958
2-[methyl(prop-2-enyl)amino]acetamide
CID 55207696
methanol;prop-2-enoic acid
CID 159043362
(E)-3-chloro-N-methyl-N-prop-2-enylprop-2-en-1-amine
CID 131234785
ethanol;prop-2-enoic acid
CID 159350313
ethane-1,1,1-triol;tris(prop-2-enoic acid)
CID 159443056

Frequently Asked Questions

What is the IUPAC name of chloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid?
The IUPAC name of chloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid (CID 22495089) is chloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid.
What is the SMILES notation for chloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid?
The canonical SMILES for chloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid is C=CC(=O)O.C=CCN(C)CC=C.CCl.
What is the InChIKey of chloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid?
The InChIKey is FJEPKXFHGYIABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C3H4O2.CH3Cl/c1-4-6-8(3)7-5-2;1-2-3(4)5;1-2/h4-5H,1-2,6-7H2,3H3;2H,1H2,(H,4,5);1H3.
What are the key properties of chloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid?
chloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid has a molecular weight of 233.74 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid is sourced from PubChem (CID 22495089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).