N-[(Z,2E)-2-ethylidenepent-3-enyl]-3-methoxy-2-methylpropanamide

C12H21NO2 — CID 144540826

IUPACN-[(Z,2E)-2-ethylidenepent-3-enyl]-3-methoxy-2-methylpropanamide
SMILESC/C=C\C(=C/C)CNC(=O)C(C)COC
InChIInChI=1S/C12H21NO2/c1-5-7-11(6-2)8-13-12(14)10(3)9-15-4/h5-7,10H,8-9H2,1-4H3,(H,13,14)/b7-5-,11-6+
InChIKeyYKFVAJOXJRNYAX-LAVHUSFLSA-N
MW211.31 g/mol
LogP1.91
Rot. Bonds6

About N-[(Z,2E)-2-ethylidenepent-3-enyl]-3-methoxy-2-methylpropanamide

N-[(Z,2E)-2-ethylidenepent-3-enyl]-3-methoxy-2-methylpropanamide (PubChem CID 144540826) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[(Z,2E)-2-ethylidenepent-3-enyl]-3-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[(Z,2E)-2-ethylidenepent-3-enyl]-3-methoxy-2-methylpropanamide
PubChem CID144540826
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC NameN-[(Z,2E)-2-ethylidenepent-3-enyl]-3-methoxy-2-methylpropanamide
SMILESC/C=C\C(=C/C)CNC(=O)C(C)COC
InChIInChI=1S/C12H21NO2/c1-5-7-11(6-2)8-13-12(14)10(3)9-15-4/h5-7,10H,8-9H2,1-4H3,(H,13,14)/b7-5-,11-6+
InChIKeyYKFVAJOXJRNYAX-LAVHUSFLSA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z,2E)-2-ethylidenepent-3-enyl]-3-methoxy-2-methylpropanamide?
The IUPAC name of N-[(Z,2E)-2-ethylidenepent-3-enyl]-3-methoxy-2-methylpropanamide (CID 144540826) is N-[(Z,2E)-2-ethylidenepent-3-enyl]-3-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[(Z,2E)-2-ethylidenepent-3-enyl]-3-methoxy-2-methylpropanamide?
The canonical SMILES for N-[(Z,2E)-2-ethylidenepent-3-enyl]-3-methoxy-2-methylpropanamide is C/C=C\C(=C/C)CNC(=O)C(C)COC.
What is the InChIKey of N-[(Z,2E)-2-ethylidenepent-3-enyl]-3-methoxy-2-methylpropanamide?
The InChIKey is YKFVAJOXJRNYAX-LAVHUSFLSA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-7-11(6-2)8-13-12(14)10(3)9-15-4/h5-7,10H,8-9H2,1-4H3,(H,13,14)/b7-5-,11-6+.
What are the key properties of N-[(Z,2E)-2-ethylidenepent-3-enyl]-3-methoxy-2-methylpropanamide?
N-[(Z,2E)-2-ethylidenepent-3-enyl]-3-methoxy-2-methylpropanamide has a molecular weight of 211.31 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,2E)-2-ethylidenepent-3-enyl]-3-methoxy-2-methylpropanamide is sourced from PubChem (CID 144540826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).