N-(3-methyloxan-4-yl)prop-2-enamide

C9H15NO2 — CID 122415348

IUPACN-(3-methyloxan-4-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCOCC1C
InChIInChI=1S/C9H15NO2/c1-3-9(11)10-8-4-5-12-6-7(8)2/h3,7-8H,1,4-6H2,2H3,(H,10,11)
InChIKeyUIEDGDYPEYVHTC-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.71
Rot. Bonds2

About N-(3-methyloxan-4-yl)prop-2-enamide

N-(3-methyloxan-4-yl)prop-2-enamide (PubChem CID 122415348) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(3-methyloxan-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-methyloxan-4-yl)prop-2-enamide
PubChem CID122415348
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(3-methyloxan-4-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCOCC1C
InChIInChI=1S/C9H15NO2/c1-3-9(11)10-8-4-5-12-6-7(8)2/h3,7-8H,1,4-6H2,2H3,(H,10,11)
InChIKeyUIEDGDYPEYVHTC-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methyloxan-4-yl)prop-2-enamide?
The IUPAC name of N-(3-methyloxan-4-yl)prop-2-enamide (CID 122415348) is N-(3-methyloxan-4-yl)prop-2-enamide.
What is the SMILES notation for N-(3-methyloxan-4-yl)prop-2-enamide?
The canonical SMILES for N-(3-methyloxan-4-yl)prop-2-enamide is C=CC(=O)NC1CCOCC1C.
What is the InChIKey of N-(3-methyloxan-4-yl)prop-2-enamide?
The InChIKey is UIEDGDYPEYVHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-9(11)10-8-4-5-12-6-7(8)2/h3,7-8H,1,4-6H2,2H3,(H,10,11).
What are the key properties of N-(3-methyloxan-4-yl)prop-2-enamide?
N-(3-methyloxan-4-yl)prop-2-enamide has a molecular weight of 169.22 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloxan-4-yl)prop-2-enamide is sourced from PubChem (CID 122415348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).