N-(1-chloro-2-methylpropan-2-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide

C10H16ClNO2 — CID 131111037

IUPACN-(1-chloro-2-methylpropan-2-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(CCl)NC(=O)C1C2COCC21
InChIInChI=1S/C10H16ClNO2/c1-10(2,5-11)12-9(13)8-6-3-14-4-7(6)8/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyFQFYIOGVHHNDKK-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.01
Rot. Bonds3

About N-(1-chloro-2-methylpropan-2-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide

N-(1-chloro-2-methylpropan-2-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 131111037) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is N-(1-chloro-2-methylpropan-2-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylpropan-2-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID131111037
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC NameN-(1-chloro-2-methylpropan-2-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(CCl)NC(=O)C1C2COCC21
InChIInChI=1S/C10H16ClNO2/c1-10(2,5-11)12-9(13)8-6-3-14-4-7(6)8/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyFQFYIOGVHHNDKK-UHFFFAOYSA-N
XLogP1.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,5S)-N-tert-butyl-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 171456680
N-tert-butyl-2-chloro-2-(oxolan-3-yl)acetamide
CID 62226651
N-tert-butyl-2-chloro-2-(oxan-4-yl)acetamide
CID 62385588
N-(1,3-dichloro-2-methylpropan-2-yl)oxane-4-carboxamide
CID 81966401
N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide
CID 106300320
N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylacetamide
CID 106300602
N-(1-chloro-2-methylpropan-2-yl)oxane-4-carboxamide
CID 114295103
N-(1-chloro-2-methylbutan-2-yl)oxane-4-carboxamide
CID 114303698
N-[3-(chloromethyl)pentan-3-yl]oxane-4-carboxamide
CID 114304521
N-[1-(chloromethyl)cyclopropyl]oxane-4-carboxamide
CID 116349537
N-(3-chloro-2-methylbutan-2-yl)oxane-4-carboxamide
CID 116359885
N-[1-(chloromethyl)cyclopropyl]-3-methyloxane-4-carboxamide
CID 130491928

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide (CID 131111037) is N-(1-chloro-2-methylpropan-2-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(1-chloro-2-methylpropan-2-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(1-chloro-2-methylpropan-2-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(CCl)NC(=O)C1C2COCC21.
What is the InChIKey of N-(1-chloro-2-methylpropan-2-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is FQFYIOGVHHNDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO2/c1-10(2,5-11)12-9(13)8-6-3-14-4-7(6)8/h6-8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-(1-chloro-2-methylpropan-2-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
N-(1-chloro-2-methylpropan-2-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 217.70 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylpropan-2-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 131111037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).