N-(7-oxabicyclo[4.1.0]heptan-3-yl)prop-2-enamide

C9H13NO2 — CID 58241585

IUPACN-(7-oxabicyclo[4.1.0]heptan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCC2OC2C1
InChIInChI=1S/C9H13NO2/c1-2-9(11)10-6-3-4-7-8(5-6)12-7/h2,6-8H,1,3-5H2,(H,10,11)
InChIKeyRACCLZFJUINOLS-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.61
Rot. Bonds2

About N-(7-oxabicyclo[4.1.0]heptan-3-yl)prop-2-enamide

N-(7-oxabicyclo[4.1.0]heptan-3-yl)prop-2-enamide (PubChem CID 58241585) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(7-oxabicyclo[4.1.0]heptan-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(7-oxabicyclo[4.1.0]heptan-3-yl)prop-2-enamide
PubChem CID58241585
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-(7-oxabicyclo[4.1.0]heptan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCC2OC2C1
InChIInChI=1S/C9H13NO2/c1-2-9(11)10-6-3-4-7-8(5-6)12-7/h2,6-8H,1,3-5H2,(H,10,11)
InChIKeyRACCLZFJUINOLS-UHFFFAOYSA-N
XLogP0.61
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[4.1.0]heptan-3-yl)prop-2-enamide?
The IUPAC name of N-(7-oxabicyclo[4.1.0]heptan-3-yl)prop-2-enamide (CID 58241585) is N-(7-oxabicyclo[4.1.0]heptan-3-yl)prop-2-enamide.
What is the SMILES notation for N-(7-oxabicyclo[4.1.0]heptan-3-yl)prop-2-enamide?
The canonical SMILES for N-(7-oxabicyclo[4.1.0]heptan-3-yl)prop-2-enamide is C=CC(=O)NC1CCC2OC2C1.
What is the InChIKey of N-(7-oxabicyclo[4.1.0]heptan-3-yl)prop-2-enamide?
The InChIKey is RACCLZFJUINOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-9(11)10-6-3-4-7-8(5-6)12-7/h2,6-8H,1,3-5H2,(H,10,11).
What are the key properties of N-(7-oxabicyclo[4.1.0]heptan-3-yl)prop-2-enamide?
N-(7-oxabicyclo[4.1.0]heptan-3-yl)prop-2-enamide has a molecular weight of 167.21 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxabicyclo[4.1.0]heptan-3-yl)prop-2-enamide is sourced from PubChem (CID 58241585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).