methyl 5-cyano-2-methylidenepent-4-enoate

C8H9NO2 — CID 54328046

IUPACmethyl 5-cyano-2-methylidenepent-4-enoate
SMILESC=C(CC=CC#N)C(=O)OC
InChIInChI=1S/C8H9NO2/c1-7(8(10)11-2)5-3-4-6-9/h3-4H,1,5H2,2H3
InChIKeySWIVHSPNUUNTJD-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.19
Rot. Bonds3

About methyl 5-cyano-2-methylidenepent-4-enoate

methyl 5-cyano-2-methylidenepent-4-enoate (PubChem CID 54328046) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is methyl 5-cyano-2-methylidenepent-4-enoate.

Molecular Properties

Compound Namemethyl 5-cyano-2-methylidenepent-4-enoate
PubChem CID54328046
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Namemethyl 5-cyano-2-methylidenepent-4-enoate
SMILESC=C(CC=CC#N)C(=O)OC
InChIInChI=1S/C8H9NO2/c1-7(8(10)11-2)5-3-4-6-9/h3-4H,1,5H2,2H3
InChIKeySWIVHSPNUUNTJD-UHFFFAOYSA-N
XLogP1.19
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-cyanobut-3-enoate
CID 70503056
methyl 6-amino-2-methylidene-6-oxohex-4-enoate
CID 87184506
1,1-dichloroethene;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 5-cyano-2-methylidenepent-4-enoate
CID 173357952
methyl 5-(4-hydroxyphenyl)-2-methylidenepent-4-enoate
CID 139700678
dimethyl 2-[(Z)-3-cyanoprop-2-enyl]propanedioate
CID 10442683
hydron;methyl 2-methylidenebutanoate
CID 174760127
benzyl 5-cyano-2-methylidenepent-4-enoate;2-hydroxyethyl prop-2-enoate
CID 68674346
methyl 2-methylidenebutanoate;propan-2-one
CID 174771904
3-methoxycarbonylbut-3-enoic acid
CID 4613903
methyl 2-methylidene-5-phenylpent-4-enoate;methyl 2-methylprop-2-enoate
CID 66766714
2-methoxycarbonylprop-2-enyl(trimethyl)azanium chloride
CID 174784224
methyl 10-cyanodec-9-enoate
CID 73094603

Frequently Asked Questions

What is the IUPAC name of methyl 5-cyano-2-methylidenepent-4-enoate?
The IUPAC name of methyl 5-cyano-2-methylidenepent-4-enoate (CID 54328046) is methyl 5-cyano-2-methylidenepent-4-enoate.
What is the SMILES notation for methyl 5-cyano-2-methylidenepent-4-enoate?
The canonical SMILES for methyl 5-cyano-2-methylidenepent-4-enoate is C=C(CC=CC#N)C(=O)OC.
What is the InChIKey of methyl 5-cyano-2-methylidenepent-4-enoate?
The InChIKey is SWIVHSPNUUNTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-7(8(10)11-2)5-3-4-6-9/h3-4H,1,5H2,2H3.
What are the key properties of methyl 5-cyano-2-methylidenepent-4-enoate?
methyl 5-cyano-2-methylidenepent-4-enoate has a molecular weight of 151.16 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyano-2-methylidenepent-4-enoate is sourced from PubChem (CID 54328046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).