N-(2-methyl-4-oxohex-5-enyl)prop-2-enamide

C10H15NO2 — CID 58231894

IUPACN-(2-methyl-4-oxohex-5-enyl)prop-2-enamide
SMILESC=CC(=O)CC(C)CNC(=O)C=C
InChIInChI=1S/C10H15NO2/c1-4-9(12)6-8(3)7-11-10(13)5-2/h4-5,8H,1-2,6-7H2,3H3,(H,11,13)
InChIKeyWDPLHSHVXFYDRH-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.07
Rot. Bonds6

About N-(2-methyl-4-oxohex-5-enyl)prop-2-enamide

N-(2-methyl-4-oxohex-5-enyl)prop-2-enamide (PubChem CID 58231894) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-(2-methyl-4-oxohex-5-enyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxohex-5-enyl)prop-2-enamide
PubChem CID58231894
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-(2-methyl-4-oxohex-5-enyl)prop-2-enamide
SMILESC=CC(=O)CC(C)CNC(=O)C=C
InChIInChI=1S/C10H15NO2/c1-4-9(12)6-8(3)7-11-10(13)5-2/h4-5,8H,1-2,6-7H2,3H3,(H,11,13)
InChIKeyWDPLHSHVXFYDRH-UHFFFAOYSA-N
XLogP1.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetyl-3-oxobutyl)prop-2-enamide
CID 14573623
N-(4-methyl-2-methylenepentyl)acrylamide
CID 57407652
N-ethyl-2-methyl-3-methylidene-4-oxopentanamide
CID 23452228
N-butyl-2-methyl-3-methylidene-4-oxopentanamide
CID 23452265
N-(4-methyl-3-oxopent-4-enyl)prop-2-enamide
CID 53656436
2-methyl-3-oxo-N-prop-2-enylpent-4-enamide
CID 54061020
2,4-dimethyl-3-oxo-N-prop-2-enylpent-4-enamide
CID 54327859
N-[2-(4-oxohex-5-enylamino)ethyl]prop-2-enamide
CID 58231890
N-[2-[2-(4-oxohex-5-enylamino)ethylamino]ethyl]prop-2-enamide
CID 58231893
2-methyl-N-(5-methyl-4-oxohex-5-enyl)propanamide
CID 58298957
2-methyl-N-(6-oxooct-7-enyl)propanamide
CID 58298973
2-methyl-N-(4-oxohex-5-enyl)propanamide
CID 58298981

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxohex-5-enyl)prop-2-enamide?
The IUPAC name of N-(2-methyl-4-oxohex-5-enyl)prop-2-enamide (CID 58231894) is N-(2-methyl-4-oxohex-5-enyl)prop-2-enamide.
What is the SMILES notation for N-(2-methyl-4-oxohex-5-enyl)prop-2-enamide?
The canonical SMILES for N-(2-methyl-4-oxohex-5-enyl)prop-2-enamide is C=CC(=O)CC(C)CNC(=O)C=C.
What is the InChIKey of N-(2-methyl-4-oxohex-5-enyl)prop-2-enamide?
The InChIKey is WDPLHSHVXFYDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-9(12)6-8(3)7-11-10(13)5-2/h4-5,8H,1-2,6-7H2,3H3,(H,11,13).
What are the key properties of N-(2-methyl-4-oxohex-5-enyl)prop-2-enamide?
N-(2-methyl-4-oxohex-5-enyl)prop-2-enamide has a molecular weight of 181.23 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxohex-5-enyl)prop-2-enamide is sourced from PubChem (CID 58231894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).