N-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylprop-2-enamide

C11H17NO — CID 144714504

IUPACN-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(/C=C\CC)=C/C
InChIInChI=1S/C11H17NO/c1-5-7-8-10(6-2)12-11(13)9(3)4/h6-8H,3,5H2,1-2,4H3,(H,12,13)/b8-7-,10-6+
InChIKeyVNIOLGVTCAGOBB-SDHBEMGISA-N
MW179.26 g/mol
LogP2.55
Rot. Bonds4

About N-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylprop-2-enamide

N-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylprop-2-enamide (PubChem CID 144714504) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylprop-2-enamide
PubChem CID144714504
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(/C=C\CC)=C/C
InChIInChI=1S/C11H17NO/c1-5-7-8-10(6-2)12-11(13)9(3)4/h6-8H,3,5H2,1-2,4H3,(H,12,13)/b8-7-,10-6+
InChIKeyVNIOLGVTCAGOBB-SDHBEMGISA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylprop-2-enamide?
The IUPAC name of N-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylprop-2-enamide (CID 144714504) is N-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylprop-2-enamide?
The canonical SMILES for N-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(/C=C\CC)=C/C.
What is the InChIKey of N-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylprop-2-enamide?
The InChIKey is VNIOLGVTCAGOBB-SDHBEMGISA-N. The full InChI is InChI=1S/C11H17NO/c1-5-7-8-10(6-2)12-11(13)9(3)4/h6-8H,3,5H2,1-2,4H3,(H,12,13)/b8-7-,10-6+.
What are the key properties of N-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylprop-2-enamide?
N-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylprop-2-enamide has a molecular weight of 179.26 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylprop-2-enamide is sourced from PubChem (CID 144714504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).