trans-(1S,2S)-cyclohexane-1,2-dicarboxamide

C8H14N2O2 — CID 21139520

IUPACtrans-(1S,2S)-cyclohexane-1,2-dicarboxamide
SMILESNC(=O)[C@H]1CCCC[C@@H]1C(N)=O
InChIInChI=1S/C8H14N2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h5-6H,1-4H2,(H2,9,11)(H2,10,12)/t5-,6-/m0/s1
InChIKeyLGFUGDIGUMLNBI-WDSKDSINSA-N
MW170.21 g/mol
LogP-0.24
Rot. Bonds2

About trans-(1S,2S)-cyclohexane-1,2-dicarboxamide

trans-(1S,2S)-cyclohexane-1,2-dicarboxamide (PubChem CID 21139520) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is trans-(1S,2S)-cyclohexane-1,2-dicarboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-cyclohexane-1,2-dicarboxamide
PubChem CID21139520
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Nametrans-(1S,2S)-cyclohexane-1,2-dicarboxamide
SMILESNC(=O)[C@H]1CCCC[C@@H]1C(N)=O
InChIInChI=1S/C8H14N2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h5-6H,1-4H2,(H2,9,11)(H2,10,12)/t5-,6-/m0/s1
InChIKeyLGFUGDIGUMLNBI-WDSKDSINSA-N
XLogP-0.24
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexaneacetamide
CID 95078
1,4-Cyclohexanedicarboxamide
CID 89270
Bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 240299
2-Methylcyclohexane-1-carboxamide
CID 5159893
1,2-Cyclohexanedicarboxamide
CID 223768
3-Oxocyclohexane-1-carboxamide
CID 55290192
4-Cyclohexylbutanamide
CID 548040
2-Pentylbutanediamide
CID 88617297
3-Cyclohexylpropanamide
CID 551691
cis-Hexahydrophthalohydroxamic acid
CID 129715583
Cyclohexane-tricarboxamide
CID 22346135
trans-Cyclohexane-1,2-diamide
CID 92164300

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-cyclohexane-1,2-dicarboxamide?
The IUPAC name of trans-(1S,2S)-cyclohexane-1,2-dicarboxamide (CID 21139520) is trans-(1S,2S)-cyclohexane-1,2-dicarboxamide.
What is the SMILES notation for trans-(1S,2S)-cyclohexane-1,2-dicarboxamide?
The canonical SMILES for trans-(1S,2S)-cyclohexane-1,2-dicarboxamide is NC(=O)[C@H]1CCCC[C@@H]1C(N)=O.
What is the InChIKey of trans-(1S,2S)-cyclohexane-1,2-dicarboxamide?
The InChIKey is LGFUGDIGUMLNBI-WDSKDSINSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h5-6H,1-4H2,(H2,9,11)(H2,10,12)/t5-,6-/m0/s1.
What are the key properties of trans-(1S,2S)-cyclohexane-1,2-dicarboxamide?
trans-(1S,2S)-cyclohexane-1,2-dicarboxamide has a molecular weight of 170.21 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-cyclohexane-1,2-dicarboxamide is sourced from PubChem (CID 21139520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).