N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]prop-2-ynamide

C9H10N2O3 — CID 19602481

IUPACN-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]prop-2-ynamide
SMILESC#CC(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C9H10N2O3/c1-2-7(12)10-4-6-5-11-8(13)3-9(11)14-6/h1,6,9H,3-5H2,(H,10,12)
InChIKeyGKMIKCVMIGDLKE-UHFFFAOYSA-N
MW194.19 g/mol
LogP-1.31
Rot. Bonds2

About N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]prop-2-ynamide

N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]prop-2-ynamide (PubChem CID 19602481) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]prop-2-ynamide
PubChem CID19602481
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC NameN-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]prop-2-ynamide
SMILESC#CC(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C9H10N2O3/c1-2-7(12)10-4-6-5-11-8(13)3-9(11)14-6/h1,6,9H,3-5H2,(H,10,12)
InChIKeyGKMIKCVMIGDLKE-UHFFFAOYSA-N
XLogP-1.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]prop-2-ynamide?
The IUPAC name of N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]prop-2-ynamide (CID 19602481) is N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]prop-2-ynamide.
What is the SMILES notation for N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]prop-2-ynamide?
The canonical SMILES for N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]prop-2-ynamide is C#CC(=O)NCC1CN2C(=O)CC2O1.
What is the InChIKey of N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]prop-2-ynamide?
The InChIKey is GKMIKCVMIGDLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-2-7(12)10-4-6-5-11-8(13)3-9(11)14-6/h1,6,9H,3-5H2,(H,10,12).
What are the key properties of N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]prop-2-ynamide?
N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]prop-2-ynamide has a molecular weight of 194.19 g/mol, XLogP of -1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]prop-2-ynamide is sourced from PubChem (CID 19602481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).