N-(2-buta-1,3-dien-2-yloxyethyl)-2-methylprop-2-enamide

C10H15NO2 — CID 23525810

IUPACN-(2-buta-1,3-dien-2-yloxyethyl)-2-methylprop-2-enamide
SMILESC=CC(=C)OCCNC(=O)C(=C)C
InChIInChI=1S/C10H15NO2/c1-5-9(4)13-7-6-11-10(12)8(2)3/h5H,1-2,4,6-7H2,3H3,(H,11,12)
InChIKeyWMHQFNRHXLQEJH-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.39
Rot. Bonds6

About N-(2-buta-1,3-dien-2-yloxyethyl)-2-methylprop-2-enamide

N-(2-buta-1,3-dien-2-yloxyethyl)-2-methylprop-2-enamide (PubChem CID 23525810) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-(2-buta-1,3-dien-2-yloxyethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-buta-1,3-dien-2-yloxyethyl)-2-methylprop-2-enamide
PubChem CID23525810
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-(2-buta-1,3-dien-2-yloxyethyl)-2-methylprop-2-enamide
SMILESC=CC(=C)OCCNC(=O)C(=C)C
InChIInChI=1S/C10H15NO2/c1-5-9(4)13-7-6-11-10(12)8(2)3/h5H,1-2,4,6-7H2,3H3,(H,11,12)
InChIKeyWMHQFNRHXLQEJH-UHFFFAOYSA-N
XLogP1.39
TPSA38.33 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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate
CID 118147420
2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate
CID 87093893
1-O-methyl 4-O-[2-(2-methylprop-2-enoylamino)ethyl] butanedioate
CID 88908253
N-but-3-enyl-2-methylprop-2-enamide;urea
CID 87079419
2-methyl-N-[2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide;2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate;2-methylprop-2-enoyloxymethoxymethyl 2-methylprop-2-enoate;2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate;2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl prop-2-enoate;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;prop-2-enoyloxymethoxymethyl prop-2-enoate
CID 158726664
4-buta-1,3-dien-2-yloxybutyl acetate
CID 89122366
2-buta-1,3-dien-2-yloxyethanol;2-hydroxyethyl 2-methylprop-2-enoate
CID 163613282
4-(2-methylprop-2-enoylamino)butyl acetate
CID 87413342
2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide
CID 22336753
2-acetamidoethyl prop-2-enoate
CID 23089005
2-(2-methylprop-2-enoylamino)ethoxy-oxido-oxophosphanium
CID 154599046
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145

Frequently Asked Questions

What is the IUPAC name of N-(2-buta-1,3-dien-2-yloxyethyl)-2-methylprop-2-enamide?
The IUPAC name of N-(2-buta-1,3-dien-2-yloxyethyl)-2-methylprop-2-enamide (CID 23525810) is N-(2-buta-1,3-dien-2-yloxyethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(2-buta-1,3-dien-2-yloxyethyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(2-buta-1,3-dien-2-yloxyethyl)-2-methylprop-2-enamide is C=CC(=C)OCCNC(=O)C(=C)C.
What is the InChIKey of N-(2-buta-1,3-dien-2-yloxyethyl)-2-methylprop-2-enamide?
The InChIKey is WMHQFNRHXLQEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-5-9(4)13-7-6-11-10(12)8(2)3/h5H,1-2,4,6-7H2,3H3,(H,11,12).
What are the key properties of N-(2-buta-1,3-dien-2-yloxyethyl)-2-methylprop-2-enamide?
N-(2-buta-1,3-dien-2-yloxyethyl)-2-methylprop-2-enamide has a molecular weight of 181.23 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-buta-1,3-dien-2-yloxyethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 23525810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).