(1S,6R)-2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane-1-carboxamide

C7H8Cl3NO2 — CID 51381490

IUPAC(1S,6R)-2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane-1-carboxamide
SMILESNC(=O)[C@]12O[C@@]1(Cl)CCCC2(Cl)Cl
InChIInChI=1S/C7H8Cl3NO2/c8-5(9)2-1-3-6(10)7(5,13-6)4(11)12/h1-3H2,(H2,11,12)/t6-,7+/m0/s1
InChIKeyRJDOGZFPFXYFDM-NKWVEPMBSA-N
MW244.50 g/mol
LogP1.53
Rot. Bonds1

About (1S,6R)-2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane-1-carboxamide

(1S,6R)-2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane-1-carboxamide (PubChem CID 51381490) has the molecular formula C7H8Cl3NO2 and a molecular weight of 244.50 g/mol. Its IUPAC name is (1S,6R)-2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane-1-carboxamide.

Molecular Properties

Compound Name(1S,6R)-2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane-1-carboxamide
PubChem CID51381490
Molecular FormulaC7H8Cl3NO2
Molecular Weight244.50 g/mol
Exact Mass242.96
IUPAC Name(1S,6R)-2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane-1-carboxamide
SMILESNC(=O)[C@]12O[C@@]1(Cl)CCCC2(Cl)Cl
InChIInChI=1S/C7H8Cl3NO2/c8-5(9)2-1-3-6(10)7(5,13-6)4(11)12/h1-3H2,(H2,11,12)/t6-,7+/m0/s1
InChIKeyRJDOGZFPFXYFDM-NKWVEPMBSA-N
XLogP1.53
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.50
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 87070126
1,1,2,2,3,3-hexachlorocyclohexane
CID 22272158
2,2,6-trichloro-6-fluorocyclohexane-1,1-diol
CID 18970946
1-aminocyclopentane-1-carboxamide
CID 139066563
1-hydroxycyclopentane-1-carboxamide
CID 12857769
2,2-dichlorocyclopentane-1,1-diamine;platinum
CID 88780620
carbamic acid;spiro[2.2]pentane
CID 119097498
1-methylsulfanylcyclobutane-1-carboxamide
CID 131173065
2-aminospiro[3.3]heptane-2-carboxamide
CID 59814889
1-(3-methyloxiran-2-yl)cyclobutane-1-carboxamide
CID 163434471
2,5-diamino-1,4-dioxane-2,5-dicarboxamide
CID 163541428
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propanamide
CID 105416404

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane-1-carboxamide?
The IUPAC name of (1S,6R)-2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane-1-carboxamide (CID 51381490) is (1S,6R)-2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane-1-carboxamide.
What is the SMILES notation for (1S,6R)-2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane-1-carboxamide?
The canonical SMILES for (1S,6R)-2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane-1-carboxamide is NC(=O)[C@]12O[C@@]1(Cl)CCCC2(Cl)Cl.
What is the InChIKey of (1S,6R)-2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane-1-carboxamide?
The InChIKey is RJDOGZFPFXYFDM-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H8Cl3NO2/c8-5(9)2-1-3-6(10)7(5,13-6)4(11)12/h1-3H2,(H2,11,12)/t6-,7+/m0/s1.
What are the key properties of (1S,6R)-2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane-1-carboxamide?
(1S,6R)-2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane-1-carboxamide has a molecular weight of 244.50 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane-1-carboxamide is sourced from PubChem (CID 51381490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).