2-methylideneoct-3-enamide

C9H15NO — CID 123552739

IUPAC2-methylideneoct-3-enamide
SMILESC=C(C=CCCCC)C(N)=O
InChIInChI=1S/C9H15NO/c1-3-4-5-6-7-8(2)9(10)11/h6-7H,2-5H2,1H3,(H2,10,11)
InChIKeyNPJKBKNEEJTSJM-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.77
Rot. Bonds5

About 2-methylideneoct-3-enamide

2-methylideneoct-3-enamide (PubChem CID 123552739) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-methylideneoct-3-enamide.

Molecular Properties

Compound Name2-methylideneoct-3-enamide
PubChem CID123552739
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-methylideneoct-3-enamide
SMILESC=C(C=CCCCC)C(N)=O
InChIInChI=1S/C9H15NO/c1-3-4-5-6-7-8(2)9(10)11/h6-7H,2-5H2,1H3,(H2,10,11)
InChIKeyNPJKBKNEEJTSJM-UHFFFAOYSA-N
XLogP1.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylideneoct-3-enoic acid
CID 54236910
methyl 2-methylideneoct-3-enoate
CID 174297773
hept-2-enamide;dihydrochloride
CID 142841404
(E)-2-methylidenehexadec-3-enoic acid
CID 87166223
(Z)-2-methylidenedodec-3-enoic acid
CID 88589048
hept-2-enoyl fluoride
CID 162347019
(Z)-non-2-enamide
CID 97047009
methane;oct-3-en-2-one
CID 175702789
CID 158204021
CID 158204021
docosa-2,13-dienamide
CID 91597038
(2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid
CID 21286858
hept-3-en-2-one;oct-3-en-2-one
CID 159843047

Frequently Asked Questions

What is the IUPAC name of 2-methylideneoct-3-enamide?
The IUPAC name of 2-methylideneoct-3-enamide (CID 123552739) is 2-methylideneoct-3-enamide.
What is the SMILES notation for 2-methylideneoct-3-enamide?
The canonical SMILES for 2-methylideneoct-3-enamide is C=C(C=CCCCC)C(N)=O.
What is the InChIKey of 2-methylideneoct-3-enamide?
The InChIKey is NPJKBKNEEJTSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-5-6-7-8(2)9(10)11/h6-7H,2-5H2,1H3,(H2,10,11).
What are the key properties of 2-methylideneoct-3-enamide?
2-methylideneoct-3-enamide has a molecular weight of 153.22 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylideneoct-3-enamide is sourced from PubChem (CID 123552739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).