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

C8H11ClN2O3 — CID 19602469

IUPAC2-chloro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide
SMILESO=C(CCl)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C8H11ClN2O3/c9-2-6(12)10-3-5-4-11-7(13)1-8(11)14-5/h5,8H,1-4H2,(H,10,12)
InChIKeyJPIMUEXMCDPXQN-UHFFFAOYSA-N
MW218.64 g/mol
LogP-0.70
Rot. Bonds3

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

2-chloro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide (PubChem CID 19602469) has the molecular formula C8H11ClN2O3 and a molecular weight of 218.64 g/mol. Its IUPAC name is 2-chloro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide
PubChem CID19602469
Molecular FormulaC8H11ClN2O3
Molecular Weight218.64 g/mol
Exact Mass218.05
IUPAC Name2-chloro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide
SMILESO=C(CCl)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C8H11ClN2O3/c9-2-6(12)10-3-5-4-11-7(13)1-8(11)14-5/h5,8H,1-4H2,(H,10,12)
InChIKeyJPIMUEXMCDPXQN-UHFFFAOYSA-N
XLogP-0.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide (CID 19602469) is 2-chloro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide is O=C(CCl)NCC1CN2C(=O)CC2O1.
What is the InChIKey of 2-chloro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide?
The InChIKey is JPIMUEXMCDPXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O3/c9-2-6(12)10-3-5-4-11-7(13)1-8(11)14-5/h5,8H,1-4H2,(H,10,12).
What are the key properties of 2-chloro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide?
2-chloro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide has a molecular weight of 218.64 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide is sourced from PubChem (CID 19602469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).