N-[2-(oxiran-2-yl)ethyl]-N-prop-2-enylprop-2-enamide

C10H15NO2 — CID 88654004

IUPACN-[2-(oxiran-2-yl)ethyl]-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCC1CO1)C(=O)C=C
InChIInChI=1S/C10H15NO2/c1-3-6-11(10(12)4-2)7-5-9-8-13-9/h3-4,9H,1-2,5-8H2
InChIKeyDLHVFZSPWFYZDE-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.98
Rot. Bonds6

About N-[2-(oxiran-2-yl)ethyl]-N-prop-2-enylprop-2-enamide

N-[2-(oxiran-2-yl)ethyl]-N-prop-2-enylprop-2-enamide (PubChem CID 88654004) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[2-(oxiran-2-yl)ethyl]-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(oxiran-2-yl)ethyl]-N-prop-2-enylprop-2-enamide
PubChem CID88654004
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC NameN-[2-(oxiran-2-yl)ethyl]-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCC1CO1)C(=O)C=C
InChIInChI=1S/C10H15NO2/c1-3-6-11(10(12)4-2)7-5-9-8-13-9/h3-4,9H,1-2,5-8H2
InChIKeyDLHVFZSPWFYZDE-UHFFFAOYSA-N
XLogP0.98
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

ethane;N-prop-2-enyl-N-propylprop-2-enamide
CID 143794226
2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid
CID 79256407
N-(5-hydroxypentyl)-N-prop-2-enylprop-2-enamide
CID 135128737
N-(3-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide
CID 173377477
N-[[(2S)-oxiran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 94071055
N-(1-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide
CID 87501695
1,4-dioxane;N-prop-2-enylprop-2-enehydrazide
CID 174255725
N-ethyl-N-(2-oxoethyl)prop-2-enamide
CID 90459922
2-(chloromethyl)oxirane;prop-2-enamide
CID 161187298
N-(oxiran-2-ylmethyl)-N-prop-2-enylpropan-1-amine
CID 22182928
N,N-bis(prop-2-enyl)carbamoyl fluoride
CID 21354913
sodium (E)-4-[bis(prop-2-enyl)amino]-4-oxobut-2-enoate
CID 23710269

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxiran-2-yl)ethyl]-N-prop-2-enylprop-2-enamide?
The IUPAC name of N-[2-(oxiran-2-yl)ethyl]-N-prop-2-enylprop-2-enamide (CID 88654004) is N-[2-(oxiran-2-yl)ethyl]-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for N-[2-(oxiran-2-yl)ethyl]-N-prop-2-enylprop-2-enamide?
The canonical SMILES for N-[2-(oxiran-2-yl)ethyl]-N-prop-2-enylprop-2-enamide is C=CCN(CCC1CO1)C(=O)C=C.
What is the InChIKey of N-[2-(oxiran-2-yl)ethyl]-N-prop-2-enylprop-2-enamide?
The InChIKey is DLHVFZSPWFYZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-6-11(10(12)4-2)7-5-9-8-13-9/h3-4,9H,1-2,5-8H2.
What are the key properties of N-[2-(oxiran-2-yl)ethyl]-N-prop-2-enylprop-2-enamide?
N-[2-(oxiran-2-yl)ethyl]-N-prop-2-enylprop-2-enamide has a molecular weight of 181.24 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxiran-2-yl)ethyl]-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 88654004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).