N-[(E)-2-ethenyl-3-methylhex-1-enyl]prop-2-enamide

C12H19NO — CID 154979466

IUPACN-[(E)-2-ethenyl-3-methylhex-1-enyl]prop-2-enamide
SMILESC=CC(=O)N/C=C(\C=C)C(C)CCC
InChIInChI=1S/C12H19NO/c1-5-8-10(4)11(6-2)9-13-12(14)7-3/h6-7,9-10H,2-3,5,8H2,1,4H3,(H,13,14)/b11-9+
InChIKeyPIWOUORNJGDTHJ-PKNBQFBNSA-N
MW193.29 g/mol
LogP2.79
Rot. Bonds6

About N-[(E)-2-ethenyl-3-methylhex-1-enyl]prop-2-enamide

N-[(E)-2-ethenyl-3-methylhex-1-enyl]prop-2-enamide (PubChem CID 154979466) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(E)-2-ethenyl-3-methylhex-1-enyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(E)-2-ethenyl-3-methylhex-1-enyl]prop-2-enamide
PubChem CID154979466
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-[(E)-2-ethenyl-3-methylhex-1-enyl]prop-2-enamide
SMILESC=CC(=O)N/C=C(\C=C)C(C)CCC
InChIInChI=1S/C12H19NO/c1-5-8-10(4)11(6-2)9-13-12(14)7-3/h6-7,9-10H,2-3,5,8H2,1,4H3,(H,13,14)/b11-9+
InChIKeyPIWOUORNJGDTHJ-PKNBQFBNSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.79
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-[(E)-2-ethenyl-3-methylhex-1-enyl]prop-2-enamide?
The IUPAC name of N-[(E)-2-ethenyl-3-methylhex-1-enyl]prop-2-enamide (CID 154979466) is N-[(E)-2-ethenyl-3-methylhex-1-enyl]prop-2-enamide.
What is the SMILES notation for N-[(E)-2-ethenyl-3-methylhex-1-enyl]prop-2-enamide?
The canonical SMILES for N-[(E)-2-ethenyl-3-methylhex-1-enyl]prop-2-enamide is C=CC(=O)N/C=C(\C=C)C(C)CCC.
What is the InChIKey of N-[(E)-2-ethenyl-3-methylhex-1-enyl]prop-2-enamide?
The InChIKey is PIWOUORNJGDTHJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-8-10(4)11(6-2)9-13-12(14)7-3/h6-7,9-10H,2-3,5,8H2,1,4H3,(H,13,14)/b11-9+.
What are the key properties of N-[(E)-2-ethenyl-3-methylhex-1-enyl]prop-2-enamide?
N-[(E)-2-ethenyl-3-methylhex-1-enyl]prop-2-enamide has a molecular weight of 193.29 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-ethenyl-3-methylhex-1-enyl]prop-2-enamide is sourced from PubChem (CID 154979466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).