N-methoxy-4-methylpent-4-enamide

C7H13NO2 — CID 135084610

IUPACN-methoxy-4-methylpent-4-enamide
SMILESC=C(C)CCC(=O)NOC
InChIInChI=1S/C7H13NO2/c1-6(2)4-5-7(9)8-10-3/h1,4-5H2,2-3H3,(H,8,9)
InChIKeyPLBNUHFPGUNYAF-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.02
Rot. Bonds4

About N-methoxy-4-methylpent-4-enamide

N-methoxy-4-methylpent-4-enamide (PubChem CID 135084610) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-methoxy-4-methylpent-4-enamide.

Molecular Properties

Compound NameN-methoxy-4-methylpent-4-enamide
PubChem CID135084610
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-methoxy-4-methylpent-4-enamide
SMILESC=C(C)CCC(=O)NOC
InChIInChI=1S/C7H13NO2/c1-6(2)4-5-7(9)8-10-3/h1,4-5H2,2-3H3,(H,8,9)
InChIKeyPLBNUHFPGUNYAF-UHFFFAOYSA-N
XLogP1.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(methoxyamino)-4-oxobutanoic acid
CID 64974135
N-methoxy-4-oxobutanamide
CID 126994320
5-(methoxyamino)-5-oxopentanoic acid
CID 64974146
4-iodo-N-methoxybutanamide
CID 141466825
N-methoxy-5-oxopentanamide
CID 91086399
1-O-methyl 2-O-(3-methylbut-3-enyl) oxalate
CID 155640793
6-chloro-N-methoxyhexanamide
CID 90073847
methyl 6-methylhept-6-enoate
CID 12590016
2-(methoxyamino)prop-2-enoic acid
CID 56613319
[4-(methoxyamino)-4-oxobutyl]phosphonic acid
CID 71458600
N-methoxy-9-oxononanamide
CID 144851599
1-methoxy-6-methylhept-6-en-3-one
CID 114473504

Frequently Asked Questions

What is the IUPAC name of N-methoxy-4-methylpent-4-enamide?
The IUPAC name of N-methoxy-4-methylpent-4-enamide (CID 135084610) is N-methoxy-4-methylpent-4-enamide.
What is the SMILES notation for N-methoxy-4-methylpent-4-enamide?
The canonical SMILES for N-methoxy-4-methylpent-4-enamide is C=C(C)CCC(=O)NOC.
What is the InChIKey of N-methoxy-4-methylpent-4-enamide?
The InChIKey is PLBNUHFPGUNYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(2)4-5-7(9)8-10-3/h1,4-5H2,2-3H3,(H,8,9).
What are the key properties of N-methoxy-4-methylpent-4-enamide?
N-methoxy-4-methylpent-4-enamide has a molecular weight of 143.19 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-methylpent-4-enamide is sourced from PubChem (CID 135084610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).