chloromethane;[(Z,2E)-2-ethylidenehex-3-enyl] 2-aminoacetate

C11H20ClNO2 — CID 145241824

IUPACchloromethane;[(Z,2E)-2-ethylidenehex-3-enyl] 2-aminoacetate
SMILESC/C=C(\C=C/CC)COC(=O)CN.CCl
InChIInChI=1S/C10H17NO2.CH3Cl/c1-3-5-6-9(4-2)8-13-10(12)7-11;1-2/h4-6H,3,7-8,11H2,1-2H3;1H3/b6-5-,9-4+;
InChIKeyXJRBSILEXZOMKF-YWPNFKROSA-N
MW233.74 g/mol
LogP2.26
Rot. Bonds5

About chloromethane;[(Z,2E)-2-ethylidenehex-3-enyl] 2-aminoacetate

chloromethane;[(Z,2E)-2-ethylidenehex-3-enyl] 2-aminoacetate (PubChem CID 145241824) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is chloromethane;[(Z,2E)-2-ethylidenehex-3-enyl] 2-aminoacetate.

Molecular Properties

Compound Namechloromethane;[(Z,2E)-2-ethylidenehex-3-enyl] 2-aminoacetate
PubChem CID145241824
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Namechloromethane;[(Z,2E)-2-ethylidenehex-3-enyl] 2-aminoacetate
SMILESC/C=C(\C=C/CC)COC(=O)CN.CCl
InChIInChI=1S/C10H17NO2.CH3Cl/c1-3-5-6-9(4-2)8-13-10(12)7-11;1-2/h4-6H,3,7-8,11H2,1-2H3;1H3/b6-5-,9-4+;
InChIKeyXJRBSILEXZOMKF-YWPNFKROSA-N
XLogP2.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-3-ethylhepta-2,4-diene
CID 19878662
ethyl 2-aminoacetate
CID 45039361
[(Z,2E)-2-prop-2-enylidenehex-3-enyl] N-methylcarbamate
CID 143244884
(2-methoxy-2-oxoethyl) 2-aminoacetate
CID 87368434
(E,3R)-3-hydroxy-2,2-dimethyloct-5-en-4-one
CID 124705258
CID 172816698
CID 172816698
ethyl 2-aminoacetate;zirconium
CID 174594488
ethyl (Z)-pent-2-enoate
CID 11332473
dichlorocopper;ethyl 2-aminoacetate
CID 54602693
ethanol;ethyl 2-aminoacetate
CID 174720999
2,2-dimethylpropyl pent-2-enoate
CID 141038283
(E)-3-methyloct-5-en-4-one
CID 14440741

Frequently Asked Questions

What is the IUPAC name of chloromethane;[(Z,2E)-2-ethylidenehex-3-enyl] 2-aminoacetate?
The IUPAC name of chloromethane;[(Z,2E)-2-ethylidenehex-3-enyl] 2-aminoacetate (CID 145241824) is chloromethane;[(Z,2E)-2-ethylidenehex-3-enyl] 2-aminoacetate.
What is the SMILES notation for chloromethane;[(Z,2E)-2-ethylidenehex-3-enyl] 2-aminoacetate?
The canonical SMILES for chloromethane;[(Z,2E)-2-ethylidenehex-3-enyl] 2-aminoacetate is C/C=C(\C=C/CC)COC(=O)CN.CCl.
What is the InChIKey of chloromethane;[(Z,2E)-2-ethylidenehex-3-enyl] 2-aminoacetate?
The InChIKey is XJRBSILEXZOMKF-YWPNFKROSA-N. The full InChI is InChI=1S/C10H17NO2.CH3Cl/c1-3-5-6-9(4-2)8-13-10(12)7-11;1-2/h4-6H,3,7-8,11H2,1-2H3;1H3/b6-5-,9-4+;.
What are the key properties of chloromethane;[(Z,2E)-2-ethylidenehex-3-enyl] 2-aminoacetate?
chloromethane;[(Z,2E)-2-ethylidenehex-3-enyl] 2-aminoacetate has a molecular weight of 233.74 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;[(Z,2E)-2-ethylidenehex-3-enyl] 2-aminoacetate is sourced from PubChem (CID 145241824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).