(1R,2S)-cyclohex-4-ene-1,2-dicarboxamide

C8H12N2O2 — CID 67492523

IUPAC(1R,2S)-cyclohex-4-ene-1,2-dicarboxamide
SMILESNC(=O)[C@H]1CC=CC[C@H]1C(N)=O
InChIInChI=1S/C8H12N2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-2,5-6H,3-4H2,(H2,9,11)(H2,10,12)/t5-,6+
InChIKeyCBESLWXCFUFLGS-OLQVQODUSA-N
MW168.20 g/mol
LogP-0.46
Rot. Bonds2

About (1R,2S)-cyclohex-4-ene-1,2-dicarboxamide

(1R,2S)-cyclohex-4-ene-1,2-dicarboxamide (PubChem CID 67492523) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (1R,2S)-cyclohex-4-ene-1,2-dicarboxamide.

Molecular Properties

Compound Name(1R,2S)-cyclohex-4-ene-1,2-dicarboxamide
PubChem CID67492523
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(1R,2S)-cyclohex-4-ene-1,2-dicarboxamide
SMILESNC(=O)[C@H]1CC=CC[C@H]1C(N)=O
InChIInChI=1S/C8H12N2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-2,5-6H,3-4H2,(H2,9,11)(H2,10,12)/t5-,6+
InChIKeyCBESLWXCFUFLGS-OLQVQODUSA-N
XLogP-0.46
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclohexene-1-carboxamide
CID 301015
Cyclohex-2-en-acetamide
CID 14143177
N-Trichlormethylthiotetrahydrophthalamid
CID 18960775
Tetrahydrophthalamide
CID 23502542
(1S)-cyclohex-3-ene-1-carboxamide
CID 51410670
Cyclohex-4-ene-1,2-dicarboxamide
CID 53439948
(1R,2R)-cyclohex-4-ene-1,2-dicarbohydrazide
CID 92150676
Cyclohex-4-ene-1,2-dicarbohydrazide
CID 261581
Bicyclo[2.2.1]hept-5-ene-2,3-dicarboximidic acid
CID 428424
Cyclohept-4-ene-1-carboxamide
CID 14949722
2-[(1S)-cyclohex-3-en-1-yl]acetamide
CID 15475741
(1R,2R)-cyclohex-4-ene-1,2-dicarbonyl azide
CID 134862543

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-cyclohex-4-ene-1,2-dicarboxamide?
The IUPAC name of (1R,2S)-cyclohex-4-ene-1,2-dicarboxamide (CID 67492523) is (1R,2S)-cyclohex-4-ene-1,2-dicarboxamide.
What is the SMILES notation for (1R,2S)-cyclohex-4-ene-1,2-dicarboxamide?
The canonical SMILES for (1R,2S)-cyclohex-4-ene-1,2-dicarboxamide is NC(=O)[C@H]1CC=CC[C@H]1C(N)=O.
What is the InChIKey of (1R,2S)-cyclohex-4-ene-1,2-dicarboxamide?
The InChIKey is CBESLWXCFUFLGS-OLQVQODUSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-2,5-6H,3-4H2,(H2,9,11)(H2,10,12)/t5-,6+.
What are the key properties of (1R,2S)-cyclohex-4-ene-1,2-dicarboxamide?
(1R,2S)-cyclohex-4-ene-1,2-dicarboxamide has a molecular weight of 168.20 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-cyclohex-4-ene-1,2-dicarboxamide is sourced from PubChem (CID 67492523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).