N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(prop-2-enylamino)acetamide

C11H18N2O2 — CID 80720117

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC1CC2CCC1O2
InChIInChI=1S/C11H18N2O2/c1-2-5-12-7-11(14)13-9-6-8-3-4-10(9)15-8/h2,8-10,12H,1,3-7H2,(H,13,14)
InChIKeyREDDNGLAZBNMHY-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.20
Rot. Bonds5

About N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(prop-2-enylamino)acetamide

N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(prop-2-enylamino)acetamide (PubChem CID 80720117) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(prop-2-enylamino)acetamide
PubChem CID80720117
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC1CC2CCC1O2
InChIInChI=1S/C11H18N2O2/c1-2-5-12-7-11(14)13-9-6-8-3-4-10(9)15-8/h2,8-10,12H,1,3-7H2,(H,13,14)
InChIKeyREDDNGLAZBNMHY-UHFFFAOYSA-N
XLogP0.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(prop-2-enylamino)acetamide (CID 80720117) is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NC1CC2CCC1O2.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(prop-2-enylamino)acetamide?
The InChIKey is REDDNGLAZBNMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-5-12-7-11(14)13-9-6-8-3-4-10(9)15-8/h2,8-10,12H,1,3-7H2,(H,13,14).
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(prop-2-enylamino)acetamide?
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(prop-2-enylamino)acetamide has a molecular weight of 210.28 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 80720117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).