N-(5-methyl-4-oxoheptyl)prop-2-enamide

C11H19NO2 — CID 159101559

IUPACN-(5-methyl-4-oxoheptyl)prop-2-enamide
SMILESC=CC(=O)NCCCC(=O)C(C)CC
InChIInChI=1S/C11H19NO2/c1-4-9(3)10(13)7-6-8-12-11(14)5-2/h5,9H,2,4,6-8H2,1,3H3,(H,12,14)
InChIKeyJVZYOTCXZYAJDW-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.68
Rot. Bonds7

About N-(5-methyl-4-oxoheptyl)prop-2-enamide

N-(5-methyl-4-oxoheptyl)prop-2-enamide (PubChem CID 159101559) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(5-methyl-4-oxoheptyl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-methyl-4-oxoheptyl)prop-2-enamide
PubChem CID159101559
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(5-methyl-4-oxoheptyl)prop-2-enamide
SMILESC=CC(=O)NCCCC(=O)C(C)CC
InChIInChI=1S/C11H19NO2/c1-4-9(3)10(13)7-6-8-12-11(14)5-2/h5,9H,2,4,6-8H2,1,3H3,(H,12,14)
InChIKeyJVZYOTCXZYAJDW-UHFFFAOYSA-N
XLogP1.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
4-(prop-2-enoylamino)butanamide
CID 60864661
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-[4-(dimethylamino)hexyl]prop-2-enamide
CID 22764760
3-[dimethyl-[3-(prop-2-enoylamino)propyl]phosphaniumyl]propyl-dimethyl-[3-(prop-2-enoylamino)propyl]phosphanium
CID 162769514
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-heptadecylprop-2-enamide
CID 20727742
N-[3-(prop-2-enoylamino)propyl]propanamide
CID 45119504
3-(prop-2-enoylamino)propyl 2-methylpropanoate
CID 147188833
N-[3-[di(propan-2-yl)amino]propyl]prop-2-enamide
CID 87733946
N-(1-hydroxyethyl)-6-(prop-2-enoylamino)hexanamide
CID 174411041
N-butylprop-2-enamide;N-ethylethanamine
CID 22596658

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-oxoheptyl)prop-2-enamide?
The IUPAC name of N-(5-methyl-4-oxoheptyl)prop-2-enamide (CID 159101559) is N-(5-methyl-4-oxoheptyl)prop-2-enamide.
What is the SMILES notation for N-(5-methyl-4-oxoheptyl)prop-2-enamide?
The canonical SMILES for N-(5-methyl-4-oxoheptyl)prop-2-enamide is C=CC(=O)NCCCC(=O)C(C)CC.
What is the InChIKey of N-(5-methyl-4-oxoheptyl)prop-2-enamide?
The InChIKey is JVZYOTCXZYAJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-9(3)10(13)7-6-8-12-11(14)5-2/h5,9H,2,4,6-8H2,1,3H3,(H,12,14).
What are the key properties of N-(5-methyl-4-oxoheptyl)prop-2-enamide?
N-(5-methyl-4-oxoheptyl)prop-2-enamide has a molecular weight of 197.28 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4-oxoheptyl)prop-2-enamide is sourced from PubChem (CID 159101559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).