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

C10H14ClNO2 — CID 131021201

IUPACN-[1-(chloromethyl)cyclopropyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NC1(CCl)CC1)C1C2COCC21
InChIInChI=1S/C10H14ClNO2/c11-5-10(1-2-10)12-9(13)8-6-3-14-4-7(6)8/h6-8H,1-5H2,(H,12,13)
InChIKeyIXBRCVRWVLCSJF-UHFFFAOYSA-N
MW215.68 g/mol
LogP0.77
Rot. Bonds3

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

N-[1-(chloromethyl)cyclopropyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 131021201) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopropyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopropyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID131021201
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC NameN-[1-(chloromethyl)cyclopropyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NC1(CCl)CC1)C1C2COCC21
InChIInChI=1S/C10H14ClNO2/c11-5-10(1-2-10)12-9(13)8-6-3-14-4-7(6)8/h6-8H,1-5H2,(H,12,13)
InChIKeyIXBRCVRWVLCSJF-UHFFFAOYSA-N
XLogP0.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 50.77
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-[1-(chloromethyl)cyclopropyl]oxane-4-carboxamide
CID 116349537
N-(1-chloro-2-methylpropan-2-yl)-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 131111037
N-[1-(chloromethyl)cyclobutyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 131182239

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclopropyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-[1-(chloromethyl)cyclopropyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide (CID 131021201) is N-[1-(chloromethyl)cyclopropyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclopropyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-[1-(chloromethyl)cyclopropyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide is O=C(NC1(CCl)CC1)C1C2COCC21.
What is the InChIKey of N-[1-(chloromethyl)cyclopropyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is IXBRCVRWVLCSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c11-5-10(1-2-10)12-9(13)8-6-3-14-4-7(6)8/h6-8H,1-5H2,(H,12,13).
What are the key properties of N-[1-(chloromethyl)cyclopropyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
N-[1-(chloromethyl)cyclopropyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 215.68 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopropyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 131021201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).