N-(4-bromooxolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide

C11H16BrNO2 — CID 130688420

IUPACN-(4-bromooxolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NC1COCC1Br)C1C2CCCC21
InChIInChI=1S/C11H16BrNO2/c12-8-4-15-5-9(8)13-11(14)10-6-2-1-3-7(6)10/h6-10H,1-5H2,(H,13,14)
InChIKeyPHHYMMJYLXXKEP-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.31
Rot. Bonds2

About N-(4-bromooxolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide

N-(4-bromooxolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 130688420) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is N-(4-bromooxolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(4-bromooxolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID130688420
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC NameN-(4-bromooxolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NC1COCC1Br)C1C2CCCC21
InChIInChI=1S/C11H16BrNO2/c12-8-4-15-5-9(8)13-11(14)10-6-2-1-3-7(6)10/h6-10H,1-5H2,(H,13,14)
InChIKeyPHHYMMJYLXXKEP-UHFFFAOYSA-N
XLogP1.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(4-bromooxolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(4-bromooxolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide (CID 130688420) is N-(4-bromooxolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(4-bromooxolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(4-bromooxolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide is O=C(NC1COCC1Br)C1C2CCCC21.
What is the InChIKey of N-(4-bromooxolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is PHHYMMJYLXXKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c12-8-4-15-5-9(8)13-11(14)10-6-2-1-3-7(6)10/h6-10H,1-5H2,(H,13,14).
What are the key properties of N-(4-bromooxolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide?
N-(4-bromooxolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 274.16 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromooxolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 130688420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).