N-methyl-2-(oxan-4-yl)prop-2-enamide

C9H15NO2 — CID 165147105

IUPACN-methyl-2-(oxan-4-yl)prop-2-enamide
SMILESC=C(C(=O)NC)C1CCOCC1
InChIInChI=1S/C9H15NO2/c1-7(9(11)10-2)8-3-5-12-6-4-8/h8H,1,3-6H2,2H3,(H,10,11)
InChIKeyQDHFQMOPENUFTN-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.72
Rot. Bonds2

About N-methyl-2-(oxan-4-yl)prop-2-enamide

N-methyl-2-(oxan-4-yl)prop-2-enamide (PubChem CID 165147105) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-methyl-2-(oxan-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-2-(oxan-4-yl)prop-2-enamide
PubChem CID165147105
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-methyl-2-(oxan-4-yl)prop-2-enamide
SMILESC=C(C(=O)NC)C1CCOCC1
InChIInChI=1S/C9H15NO2/c1-7(9(11)10-2)8-3-5-12-6-4-8/h8H,1,3-6H2,2H3,(H,10,11)
InChIKeyQDHFQMOPENUFTN-UHFFFAOYSA-N
XLogP0.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.72
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

2-(oxan-4-yl)prop-2-enoic acid
CID 66717552
4-cyclopropyloxane;ethane;N-methylacetamide
CID 157037598
oxane-4-carboxamide
CID 13197203
oxane-4-carbonyl fluoride
CID 142990314
N',N'-dimethyloxane-4-carbohydrazide
CID 116848029
methylaminomethyl oxane-4-carboxylate;hydrobromide
CID 175162839
(2S)-2-bromo-1-(oxan-4-yl)propan-1-one
CID 124710704
2-bromo-1-(oxan-4-yl)propan-1-one
CID 119056821
cyclobutyl(oxan-4-yl)methanone
CID 64982352
N-methyl-2-(oxolan-3-yl)prop-2-en-1-amine
CID 117266258
[3-(methylamino)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 81468978
N-methyloxane-4-carbohydrazide
CID 116845691

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxan-4-yl)prop-2-enamide?
The IUPAC name of N-methyl-2-(oxan-4-yl)prop-2-enamide (CID 165147105) is N-methyl-2-(oxan-4-yl)prop-2-enamide.
What is the SMILES notation for N-methyl-2-(oxan-4-yl)prop-2-enamide?
The canonical SMILES for N-methyl-2-(oxan-4-yl)prop-2-enamide is C=C(C(=O)NC)C1CCOCC1.
What is the InChIKey of N-methyl-2-(oxan-4-yl)prop-2-enamide?
The InChIKey is QDHFQMOPENUFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(9(11)10-2)8-3-5-12-6-4-8/h8H,1,3-6H2,2H3,(H,10,11).
What are the key properties of N-methyl-2-(oxan-4-yl)prop-2-enamide?
N-methyl-2-(oxan-4-yl)prop-2-enamide has a molecular weight of 169.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxan-4-yl)prop-2-enamide is sourced from PubChem (CID 165147105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).