N-methyl-N-[(2E,4E,6E)-octa-2,4,6-trien-4-yl]cyclopropanecarboxamide

C13H19NO — CID 144568354

IUPACN-methyl-N-[(2E,4E,6E)-octa-2,4,6-trien-4-yl]cyclopropanecarboxamide
SMILESC/C=C/C=C(\C=C\C)N(C)C(=O)C1CC1
InChIInChI=1S/C13H19NO/c1-4-6-8-12(7-5-2)14(3)13(15)11-9-10-11/h4-8,11H,9-10H2,1-3H3/b6-4+,7-5+,12-8+
InChIKeyYNEUEQBPZZMLSR-FOTIZBECSA-N
MW205.30 g/mol
LogP2.89
Rot. Bonds4

About N-methyl-N-[(2E,4E,6E)-octa-2,4,6-trien-4-yl]cyclopropanecarboxamide

N-methyl-N-[(2E,4E,6E)-octa-2,4,6-trien-4-yl]cyclopropanecarboxamide (PubChem CID 144568354) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-methyl-N-[(2E,4E,6E)-octa-2,4,6-trien-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2E,4E,6E)-octa-2,4,6-trien-4-yl]cyclopropanecarboxamide
PubChem CID144568354
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-methyl-N-[(2E,4E,6E)-octa-2,4,6-trien-4-yl]cyclopropanecarboxamide
SMILESC/C=C/C=C(\C=C\C)N(C)C(=O)C1CC1
InChIInChI=1S/C13H19NO/c1-4-6-8-12(7-5-2)14(3)13(15)11-9-10-11/h4-8,11H,9-10H2,1-3H3/b6-4+,7-5+,12-8+
InChIKeyYNEUEQBPZZMLSR-FOTIZBECSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methyl-N-[(2E,4E,6E)-octa-2,4,6-trien-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-methyl-N-[(2E,4E,6E)-octa-2,4,6-trien-4-yl]cyclopropanecarboxamide (CID 144568354) is N-methyl-N-[(2E,4E,6E)-octa-2,4,6-trien-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-methyl-N-[(2E,4E,6E)-octa-2,4,6-trien-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-methyl-N-[(2E,4E,6E)-octa-2,4,6-trien-4-yl]cyclopropanecarboxamide is C/C=C/C=C(\C=C\C)N(C)C(=O)C1CC1.
What is the InChIKey of N-methyl-N-[(2E,4E,6E)-octa-2,4,6-trien-4-yl]cyclopropanecarboxamide?
The InChIKey is YNEUEQBPZZMLSR-FOTIZBECSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-6-8-12(7-5-2)14(3)13(15)11-9-10-11/h4-8,11H,9-10H2,1-3H3/b6-4+,7-5+,12-8+.
What are the key properties of N-methyl-N-[(2E,4E,6E)-octa-2,4,6-trien-4-yl]cyclopropanecarboxamide?
N-methyl-N-[(2E,4E,6E)-octa-2,4,6-trien-4-yl]cyclopropanecarboxamide has a molecular weight of 205.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2E,4E,6E)-octa-2,4,6-trien-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 144568354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).