N-[1-(chloromethyl)cyclobutyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide

C11H16ClNO2 — CID 131182239

IUPACN-[1-(chloromethyl)cyclobutyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NC1(CCl)CCC1)C1C2COCC21
InChIInChI=1S/C11H16ClNO2/c12-6-11(2-1-3-11)13-10(14)9-7-4-15-5-8(7)9/h7-9H,1-6H2,(H,13,14)
InChIKeyWHJSSLYSBMAELC-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.16
Rot. Bonds3

About N-[1-(chloromethyl)cyclobutyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide

N-[1-(chloromethyl)cyclobutyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 131182239) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclobutyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclobutyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID131182239
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC NameN-[1-(chloromethyl)cyclobutyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NC1(CCl)CCC1)C1C2COCC21
InChIInChI=1S/C11H16ClNO2/c12-6-11(2-1-3-11)13-10(14)9-7-4-15-5-8(7)9/h7-9H,1-6H2,(H,13,14)
InChIKeyWHJSSLYSBMAELC-UHFFFAOYSA-N
XLogP1.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.16
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

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-[4-(chloromethyl)oxan-4-yl]cyclobutanecarboxamide
CID 106300311
N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylacetamide
CID 106300602
N-[1-(chloromethyl)cyclopropyl]oxane-4-carboxamide
CID 116349537
N-[1-(chloromethyl)cyclobutyl]oxane-4-carboxamide
CID 116366031
N-[1-(chloromethyl)cyclopropyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 131021201
N-(1-chloro-2-methylpropan-2-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 131111037

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclobutyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-[1-(chloromethyl)cyclobutyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide (CID 131182239) is N-[1-(chloromethyl)cyclobutyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclobutyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-[1-(chloromethyl)cyclobutyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide is O=C(NC1(CCl)CCC1)C1C2COCC21.
What is the InChIKey of N-[1-(chloromethyl)cyclobutyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is WHJSSLYSBMAELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c12-6-11(2-1-3-11)13-10(14)9-7-4-15-5-8(7)9/h7-9H,1-6H2,(H,13,14).
What are the key properties of N-[1-(chloromethyl)cyclobutyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
N-[1-(chloromethyl)cyclobutyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 229.71 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclobutyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 131182239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).