4-methyl-2-propan-2-ylidene-N,N-bis(prop-2-enyl)pent-3-enamide

C15H23NO — CID 89090847

IUPAC4-methyl-2-propan-2-ylidene-N,N-bis(prop-2-enyl)pent-3-enamide
SMILESC=CCN(CC=C)C(=O)C(C=C(C)C)=C(C)C
InChIInChI=1S/C15H23NO/c1-7-9-16(10-8-2)15(17)14(13(5)6)11-12(3)4/h7-8,11H,1-2,9-10H2,3-6H3
InChIKeyQLTFJUMAKDOLKS-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.49
Rot. Bonds6

About 4-methyl-2-propan-2-ylidene-N,N-bis(prop-2-enyl)pent-3-enamide

4-methyl-2-propan-2-ylidene-N,N-bis(prop-2-enyl)pent-3-enamide (PubChem CID 89090847) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-methyl-2-propan-2-ylidene-N,N-bis(prop-2-enyl)pent-3-enamide.

Molecular Properties

Compound Name4-methyl-2-propan-2-ylidene-N,N-bis(prop-2-enyl)pent-3-enamide
PubChem CID89090847
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-methyl-2-propan-2-ylidene-N,N-bis(prop-2-enyl)pent-3-enamide
SMILESC=CCN(CC=C)C(=O)C(C=C(C)C)=C(C)C
InChIInChI=1S/C15H23NO/c1-7-9-16(10-8-2)15(17)14(13(5)6)11-12(3)4/h7-8,11H,1-2,9-10H2,3-6H3
InChIKeyQLTFJUMAKDOLKS-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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 4-methyl-2-propan-2-ylidene-N,N-bis(prop-2-enyl)pent-3-enamide?
The IUPAC name of 4-methyl-2-propan-2-ylidene-N,N-bis(prop-2-enyl)pent-3-enamide (CID 89090847) is 4-methyl-2-propan-2-ylidene-N,N-bis(prop-2-enyl)pent-3-enamide.
What is the SMILES notation for 4-methyl-2-propan-2-ylidene-N,N-bis(prop-2-enyl)pent-3-enamide?
The canonical SMILES for 4-methyl-2-propan-2-ylidene-N,N-bis(prop-2-enyl)pent-3-enamide is C=CCN(CC=C)C(=O)C(C=C(C)C)=C(C)C.
What is the InChIKey of 4-methyl-2-propan-2-ylidene-N,N-bis(prop-2-enyl)pent-3-enamide?
The InChIKey is QLTFJUMAKDOLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-7-9-16(10-8-2)15(17)14(13(5)6)11-12(3)4/h7-8,11H,1-2,9-10H2,3-6H3.
What are the key properties of 4-methyl-2-propan-2-ylidene-N,N-bis(prop-2-enyl)pent-3-enamide?
4-methyl-2-propan-2-ylidene-N,N-bis(prop-2-enyl)pent-3-enamide has a molecular weight of 233.35 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-ylidene-N,N-bis(prop-2-enyl)pent-3-enamide is sourced from PubChem (CID 89090847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).