2-methyl-N-(6-oxohexyl)prop-2-enamide

C10H17NO2 — CID 54218412

IUPAC2-methyl-N-(6-oxohexyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCC=O
InChIInChI=1S/C10H17NO2/c1-9(2)10(13)11-7-5-3-4-6-8-12/h8H,1,3-7H2,2H3,(H,11,13)
InChIKeyCRDMMADJFXKMEQ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.44
Rot. Bonds7

About 2-methyl-N-(6-oxohexyl)prop-2-enamide

2-methyl-N-(6-oxohexyl)prop-2-enamide (PubChem CID 54218412) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methyl-N-(6-oxohexyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(6-oxohexyl)prop-2-enamide
PubChem CID54218412
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-methyl-N-(6-oxohexyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCC=O
InChIInChI=1S/C10H17NO2/c1-9(2)10(13)11-7-5-3-4-6-8-12/h8H,1,3-7H2,2H3,(H,11,13)
InChIKeyCRDMMADJFXKMEQ-UHFFFAOYSA-N
XLogP1.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-(1,6-hexanediyl)bismethacrylamide
CID 85267
Hexanamide, N-methallyl-
CID 22446576
n-Hexylmethacrylamide
CID 20566085
2-methyl-N-(5-oxohexyl)prop-2-enamide
CID 19376116
N-(4,4-dimethyl-5-oxopentyl)-2-methylprop-2-enamide
CID 19376149
N,N'-bis(2-methylprop-2-enyl)hexanediamide
CID 20466897
N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide
CID 22292211
(E)-N-(6-oxohexyl)but-2-enamide
CID 59097919
N-tert-butyl-7-(2-methylprop-2-enoylamino)heptanamide
CID 59532900
Azepan-2-one;2-methylprop-2-enamide
CID 66609874
N-(6-oxohexyl)but-2-enamide
CID 72516055
N-ethyl-5-(2-methylprop-2-enoylamino)pentanamide
CID 87413358

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-oxohexyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(6-oxohexyl)prop-2-enamide (CID 54218412) is 2-methyl-N-(6-oxohexyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(6-oxohexyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(6-oxohexyl)prop-2-enamide is C=C(C)C(=O)NCCCCCC=O.
What is the InChIKey of 2-methyl-N-(6-oxohexyl)prop-2-enamide?
The InChIKey is CRDMMADJFXKMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-9(2)10(13)11-7-5-3-4-6-8-12/h8H,1,3-7H2,2H3,(H,11,13).
What are the key properties of 2-methyl-N-(6-oxohexyl)prop-2-enamide?
2-methyl-N-(6-oxohexyl)prop-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-oxohexyl)prop-2-enamide is sourced from PubChem (CID 54218412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).