2,2-bis(prop-2-enyl)pent-4-enamide

C11H17NO — CID 87074718

IUPAC2,2-bis(prop-2-enyl)pent-4-enamide
SMILESC=CCC(CC=C)(CC=C)C(N)=O
InChIInChI=1S/C11H17NO/c1-4-7-11(8-5-2,9-6-3)10(12)13/h4-6H,1-3,7-9H2,(H2,12,13)
InChIKeyKRFXAZONAZAJJZ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.19
Rot. Bonds7

About 2,2-bis(prop-2-enyl)pent-4-enamide

2,2-bis(prop-2-enyl)pent-4-enamide (PubChem CID 87074718) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2,2-bis(prop-2-enyl)pent-4-enamide.

Molecular Properties

Compound Name2,2-bis(prop-2-enyl)pent-4-enamide
PubChem CID87074718
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2,2-bis(prop-2-enyl)pent-4-enamide
SMILESC=CCC(CC=C)(CC=C)C(N)=O
InChIInChI=1S/C11H17NO/c1-4-7-11(8-5-2,9-6-3)10(12)13/h4-6H,1-3,7-9H2,(H2,12,13)
InChIKeyKRFXAZONAZAJJZ-UHFFFAOYSA-N
XLogP2.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(prop-2-enyl)pent-4-enamide?
The IUPAC name of 2,2-bis(prop-2-enyl)pent-4-enamide (CID 87074718) is 2,2-bis(prop-2-enyl)pent-4-enamide.
What is the SMILES notation for 2,2-bis(prop-2-enyl)pent-4-enamide?
The canonical SMILES for 2,2-bis(prop-2-enyl)pent-4-enamide is C=CCC(CC=C)(CC=C)C(N)=O.
What is the InChIKey of 2,2-bis(prop-2-enyl)pent-4-enamide?
The InChIKey is KRFXAZONAZAJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-7-11(8-5-2,9-6-3)10(12)13/h4-6H,1-3,7-9H2,(H2,12,13).
What are the key properties of 2,2-bis(prop-2-enyl)pent-4-enamide?
2,2-bis(prop-2-enyl)pent-4-enamide has a molecular weight of 179.26 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enyl)pent-4-enamide is sourced from PubChem (CID 87074718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).