methyl (Z)-2-acetamido-5-methylhex-2-enoate

C10H17NO3 — CID 101077092

IUPACmethyl (Z)-2-acetamido-5-methylhex-2-enoate
SMILESCOC(=O)/C(=C/CC(C)C)NC(C)=O
InChIInChI=1S/C10H17NO3/c1-7(2)5-6-9(10(13)14-4)11-8(3)12/h6-7H,5H2,1-4H3,(H,11,12)/b9-6-
InChIKeyVPRQXLRZNVWAMM-TWGQIWQCSA-N
MW199.25 g/mol
LogP1.23
Rot. Bonds4

About methyl (Z)-2-acetamido-5-methylhex-2-enoate

methyl (Z)-2-acetamido-5-methylhex-2-enoate (PubChem CID 101077092) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl (Z)-2-acetamido-5-methylhex-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-acetamido-5-methylhex-2-enoate
PubChem CID101077092
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl (Z)-2-acetamido-5-methylhex-2-enoate
SMILESCOC(=O)/C(=C/CC(C)C)NC(C)=O
InChIInChI=1S/C10H17NO3/c1-7(2)5-6-9(10(13)14-4)11-8(3)12/h6-7H,5H2,1-4H3,(H,11,12)/b9-6-
InChIKeyVPRQXLRZNVWAMM-TWGQIWQCSA-N
XLogP1.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z)-2-acetamido-5-methylsulfanylpent-2-enoate
CID 135083629
(3-acetamido-4-methoxy-4-oxobut-2-enyl)-methylphosphinic acid
CID 88606475
methyl (Z)-2-acetamido-3-iodoprop-2-enoate
CID 15940885
methyl (E)-2-cyano-5-methylhex-2-enoate
CID 11194550
methyl (2E)-2-acetamidopenta-2,4-dienoate
CID 101173964
methyl (Z)-5-methyl-2-(2,2,2-trichloroacetyl)hex-2-enoate
CID 14293956
3-(3-methylbutylidene)pentane-2,4-dione
CID 12838642
methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl 2-acetamidoprop-2-enoate
CID 143525335
propan-2-yl (E)-2-cyano-5-methylhex-2-enoate
CID 6052553
methyl (Z)-2-acetamido-3-(6-amino-5-methyl-3-pyridinyl)prop-2-enoate
CID 67301814
(E)-6-methylhept-3-en-2-one
CID 5462986
dimethyl 2-[(E)-4-oxopent-2-enyl]propanedioate
CID 44632245

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-acetamido-5-methylhex-2-enoate?
The IUPAC name of methyl (Z)-2-acetamido-5-methylhex-2-enoate (CID 101077092) is methyl (Z)-2-acetamido-5-methylhex-2-enoate.
What is the SMILES notation for methyl (Z)-2-acetamido-5-methylhex-2-enoate?
The canonical SMILES for methyl (Z)-2-acetamido-5-methylhex-2-enoate is COC(=O)/C(=C/CC(C)C)NC(C)=O.
What is the InChIKey of methyl (Z)-2-acetamido-5-methylhex-2-enoate?
The InChIKey is VPRQXLRZNVWAMM-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(2)5-6-9(10(13)14-4)11-8(3)12/h6-7H,5H2,1-4H3,(H,11,12)/b9-6-.
What are the key properties of methyl (Z)-2-acetamido-5-methylhex-2-enoate?
methyl (Z)-2-acetamido-5-methylhex-2-enoate has a molecular weight of 199.25 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-acetamido-5-methylhex-2-enoate is sourced from PubChem (CID 101077092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).