2-cyclohexylbut-2-enediamide

C10H16N2O2 — CID 151583610

IUPAC2-cyclohexylbut-2-enediamide
SMILESNC(=O)C=C(C(N)=O)C1CCCCC1
InChIInChI=1S/C10H16N2O2/c11-9(13)6-8(10(12)14)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,13)(H2,12,14)
InChIKeyQGZYWNSENKPKML-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.46
Rot. Bonds3

About 2-cyclohexylbut-2-enediamide

2-cyclohexylbut-2-enediamide (PubChem CID 151583610) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-cyclohexylbut-2-enediamide.

Molecular Properties

Compound Name2-cyclohexylbut-2-enediamide
PubChem CID151583610
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-cyclohexylbut-2-enediamide
SMILESNC(=O)C=C(C(N)=O)C1CCCCC1
InChIInChI=1S/C10H16N2O2/c11-9(13)6-8(10(12)14)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,13)(H2,12,14)
InChIKeyQGZYWNSENKPKML-UHFFFAOYSA-N
XLogP0.46
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylbut-2-enediamide?
The IUPAC name of 2-cyclohexylbut-2-enediamide (CID 151583610) is 2-cyclohexylbut-2-enediamide.
What is the SMILES notation for 2-cyclohexylbut-2-enediamide?
The canonical SMILES for 2-cyclohexylbut-2-enediamide is NC(=O)C=C(C(N)=O)C1CCCCC1.
What is the InChIKey of 2-cyclohexylbut-2-enediamide?
The InChIKey is QGZYWNSENKPKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c11-9(13)6-8(10(12)14)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,13)(H2,12,14).
What are the key properties of 2-cyclohexylbut-2-enediamide?
2-cyclohexylbut-2-enediamide has a molecular weight of 196.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylbut-2-enediamide is sourced from PubChem (CID 151583610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).