N,2,3,4,5-pentamethylidenehept-6-enamide

C12H13NO — CID 175383228

IUPACN,2,3,4,5-pentamethylidenehept-6-enamide
SMILESC=CC(=C)C(=C)C(=C)C(=C)C(=O)N=C
InChIInChI=1S/C12H13NO/c1-7-8(2)9(3)10(4)11(5)12(14)13-6/h7H,1-6H2
InChIKeyVTAUIKVNKXVLGF-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.62
Rot. Bonds5

About N,2,3,4,5-pentamethylidenehept-6-enamide

N,2,3,4,5-pentamethylidenehept-6-enamide (PubChem CID 175383228) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is N,2,3,4,5-pentamethylidenehept-6-enamide.

Molecular Properties

Compound NameN,2,3,4,5-pentamethylidenehept-6-enamide
PubChem CID175383228
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC NameN,2,3,4,5-pentamethylidenehept-6-enamide
SMILESC=CC(=C)C(=C)C(=C)C(=C)C(=O)N=C
InChIInChI=1S/C12H13NO/c1-7-8(2)9(3)10(4)11(5)12(14)13-6/h7H,1-6H2
InChIKeyVTAUIKVNKXVLGF-UHFFFAOYSA-N
XLogP2.62
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N,2,3,4,5-pentamethylidenehept-6-enamide?
The IUPAC name of N,2,3,4,5-pentamethylidenehept-6-enamide (CID 175383228) is N,2,3,4,5-pentamethylidenehept-6-enamide.
What is the SMILES notation for N,2,3,4,5-pentamethylidenehept-6-enamide?
The canonical SMILES for N,2,3,4,5-pentamethylidenehept-6-enamide is C=CC(=C)C(=C)C(=C)C(=C)C(=O)N=C.
What is the InChIKey of N,2,3,4,5-pentamethylidenehept-6-enamide?
The InChIKey is VTAUIKVNKXVLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-7-8(2)9(3)10(4)11(5)12(14)13-6/h7H,1-6H2.
What are the key properties of N,2,3,4,5-pentamethylidenehept-6-enamide?
N,2,3,4,5-pentamethylidenehept-6-enamide has a molecular weight of 187.24 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,4,5-pentamethylidenehept-6-enamide is sourced from PubChem (CID 175383228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).