methyl (Z)-2-formamidohex-2-enoate

C8H13NO3 — CID 11571868

IUPACmethyl (Z)-2-formamidohex-2-enoate
SMILESCCC/C=C(\NC=O)C(=O)OC
InChIInChI=1S/C8H13NO3/c1-3-4-5-7(9-6-10)8(11)12-2/h5-6H,3-4H2,1-2H3,(H,9,10)/b7-5-
InChIKeyNUZLYBNEWSLWNW-ALCCZGGFSA-N
MW171.20 g/mol
LogP0.59
Rot. Bonds5

About methyl (Z)-2-formamidohex-2-enoate

methyl (Z)-2-formamidohex-2-enoate (PubChem CID 11571868) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is methyl (Z)-2-formamidohex-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-formamidohex-2-enoate
PubChem CID11571868
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Namemethyl (Z)-2-formamidohex-2-enoate
SMILESCCC/C=C(\NC=O)C(=O)OC
InChIInChI=1S/C8H13NO3/c1-3-4-5-7(9-6-10)8(11)12-2/h5-6H,3-4H2,1-2H3,(H,9,10)/b7-5-
InChIKeyNUZLYBNEWSLWNW-ALCCZGGFSA-N
XLogP0.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-formamido-7-oxohept-2-enoate
CID 175861184
methyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate
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methyl (E)-2-methylhex-2-enoate
CID 5364816
methyl (Z)-2-chlorohex-2-enoate
CID 12547214
methyl (E)-2-acetylhex-2-enoate
CID 12838651
(Z)-2-methoxycarbonylhex-2-ene-1-sulfinic acid
CID 14116063
methyl 2-prop-2-enylhex-2-enoate
CID 174771854
methyl (Z)-2-[(2-chloroacetyl)amino]hexadec-2-enoate
CID 110190847
N-chloro-2-methylhex-2-enamide
CID 140536869
dimethyl 2-[(Z)-dec-6-enylidene]propanedioate
CID 101013837
N-methoxy-2-methylhex-2-enamide
CID 159177287
methyl (E)-2-methylhept-2-enoate
CID 13122847

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-formamidohex-2-enoate?
The IUPAC name of methyl (Z)-2-formamidohex-2-enoate (CID 11571868) is methyl (Z)-2-formamidohex-2-enoate.
What is the SMILES notation for methyl (Z)-2-formamidohex-2-enoate?
The canonical SMILES for methyl (Z)-2-formamidohex-2-enoate is CCC/C=C(\NC=O)C(=O)OC.
What is the InChIKey of methyl (Z)-2-formamidohex-2-enoate?
The InChIKey is NUZLYBNEWSLWNW-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-4-5-7(9-6-10)8(11)12-2/h5-6H,3-4H2,1-2H3,(H,9,10)/b7-5-.
What are the key properties of methyl (Z)-2-formamidohex-2-enoate?
methyl (Z)-2-formamidohex-2-enoate has a molecular weight of 171.20 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-formamidohex-2-enoate is sourced from PubChem (CID 11571868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).