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

C13H21NO — CID 166767016

IUPACN-[(E)-2-ethenyl-3,3-dimethylhex-1-enyl]prop-2-enamide
SMILESC=CC(=O)N/C=C(\C=C)C(C)(C)CCC
InChIInChI=1S/C13H21NO/c1-6-9-13(4,5)11(7-2)10-14-12(15)8-3/h7-8,10H,2-3,6,9H2,1,4-5H3,(H,14,15)/b11-10+
InChIKeyAZKJGTYABYVKLS-ZHACJKMWSA-N
MW207.32 g/mol
LogP3.18
Rot. Bonds6

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

N-[(E)-2-ethenyl-3,3-dimethylhex-1-enyl]prop-2-enamide (PubChem CID 166767016) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(E)-2-ethenyl-3,3-dimethylhex-1-enyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(E)-2-ethenyl-3,3-dimethylhex-1-enyl]prop-2-enamide
PubChem CID166767016
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(E)-2-ethenyl-3,3-dimethylhex-1-enyl]prop-2-enamide
SMILESC=CC(=O)N/C=C(\C=C)C(C)(C)CCC
InChIInChI=1S/C13H21NO/c1-6-9-13(4,5)11(7-2)10-14-12(15)8-3/h7-8,10H,2-3,6,9H2,1,4-5H3,(H,14,15)/b11-10+
InChIKeyAZKJGTYABYVKLS-ZHACJKMWSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.18
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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Related Compounds

N-[(E)-2-ethenyl-3-methylhex-1-enyl]prop-2-enamide
CID 154979466
prop-2-enoyl 2,2-dimethylpentanoate
CID 164546657
N-(2-methylpentan-2-yloxysilyl)prop-2-enamide
CID 173106708
N-(3-ethylhexan-3-yloxy)prop-2-enamide
CID 174586112
3,3,5,5-tetramethyloctan-4-one
CID 89362590
N-formylprop-2-enamide;bis(propan-2-one)
CID 22614021
N-(2-hydroxytridecan-2-yl)prop-2-enamide
CID 141282485
2,2-dimethyl-4-(prop-2-enoylamino)butanoic acid
CID 174997807
ethyl N-[2-(prop-2-enoylamino)ethenyl]carbamate
CID 54134770
N-ethylprop-2-enamide;N-methylmethanamine
CID 22381553
N-(2-hydroxybutan-2-yl)prop-2-enamide
CID 118588252
ethyl-methyl-(prop-2-enoylamino)-(4-propylheptan-4-yl)azanium chloride
CID 155677015

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-ethenyl-3,3-dimethylhex-1-enyl]prop-2-enamide?
The IUPAC name of N-[(E)-2-ethenyl-3,3-dimethylhex-1-enyl]prop-2-enamide (CID 166767016) is N-[(E)-2-ethenyl-3,3-dimethylhex-1-enyl]prop-2-enamide.
What is the SMILES notation for N-[(E)-2-ethenyl-3,3-dimethylhex-1-enyl]prop-2-enamide?
The canonical SMILES for N-[(E)-2-ethenyl-3,3-dimethylhex-1-enyl]prop-2-enamide is C=CC(=O)N/C=C(\C=C)C(C)(C)CCC.
What is the InChIKey of N-[(E)-2-ethenyl-3,3-dimethylhex-1-enyl]prop-2-enamide?
The InChIKey is AZKJGTYABYVKLS-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H21NO/c1-6-9-13(4,5)11(7-2)10-14-12(15)8-3/h7-8,10H,2-3,6,9H2,1,4-5H3,(H,14,15)/b11-10+.
What are the key properties of N-[(E)-2-ethenyl-3,3-dimethylhex-1-enyl]prop-2-enamide?
N-[(E)-2-ethenyl-3,3-dimethylhex-1-enyl]prop-2-enamide has a molecular weight of 207.32 g/mol, XLogP of 3.18, 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-3,3-dimethylhex-1-enyl]prop-2-enamide is sourced from PubChem (CID 166767016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).