[(Z)-2-methylidenepent-3-enyl] N-methyl-N-prop-2-enylcarbamate

C11H17NO2 — CID 88557103

IUPAC[(Z)-2-methylidenepent-3-enyl] N-methyl-N-prop-2-enylcarbamate
SMILESC=CCN(C)C(=O)OCC(=C)/C=C\C
InChIInChI=1S/C11H17NO2/c1-5-7-10(3)9-14-11(13)12(4)8-6-2/h5-7H,2-3,8-9H2,1,4H3/b7-5-
InChIKeyVOAFFNOXKCQUBF-ALCCZGGFSA-N
MW195.26 g/mol
LogP2.37
Rot. Bonds5

About [(Z)-2-methylidenepent-3-enyl] N-methyl-N-prop-2-enylcarbamate

[(Z)-2-methylidenepent-3-enyl] N-methyl-N-prop-2-enylcarbamate (PubChem CID 88557103) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is [(Z)-2-methylidenepent-3-enyl] N-methyl-N-prop-2-enylcarbamate.

Molecular Properties

Compound Name[(Z)-2-methylidenepent-3-enyl] N-methyl-N-prop-2-enylcarbamate
PubChem CID88557103
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name[(Z)-2-methylidenepent-3-enyl] N-methyl-N-prop-2-enylcarbamate
SMILESC=CCN(C)C(=O)OCC(=C)/C=C\C
InChIInChI=1S/C11H17NO2/c1-5-7-10(3)9-14-11(13)12(4)8-6-2/h5-7H,2-3,8-9H2,1,4H3/b7-5-
InChIKeyVOAFFNOXKCQUBF-ALCCZGGFSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-methylidenepent-3-enyl] N-methyl-N-prop-2-enylcarbamate?
The IUPAC name of [(Z)-2-methylidenepent-3-enyl] N-methyl-N-prop-2-enylcarbamate (CID 88557103) is [(Z)-2-methylidenepent-3-enyl] N-methyl-N-prop-2-enylcarbamate.
What is the SMILES notation for [(Z)-2-methylidenepent-3-enyl] N-methyl-N-prop-2-enylcarbamate?
The canonical SMILES for [(Z)-2-methylidenepent-3-enyl] N-methyl-N-prop-2-enylcarbamate is C=CCN(C)C(=O)OCC(=C)/C=C\C.
What is the InChIKey of [(Z)-2-methylidenepent-3-enyl] N-methyl-N-prop-2-enylcarbamate?
The InChIKey is VOAFFNOXKCQUBF-ALCCZGGFSA-N. The full InChI is InChI=1S/C11H17NO2/c1-5-7-10(3)9-14-11(13)12(4)8-6-2/h5-7H,2-3,8-9H2,1,4H3/b7-5-.
What are the key properties of [(Z)-2-methylidenepent-3-enyl] N-methyl-N-prop-2-enylcarbamate?
[(Z)-2-methylidenepent-3-enyl] N-methyl-N-prop-2-enylcarbamate has a molecular weight of 195.26 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-methylidenepent-3-enyl] N-methyl-N-prop-2-enylcarbamate is sourced from PubChem (CID 88557103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).