N-(1-hydroxy-2-methylpropan-2-yl)cyclohex-3-ene-1-carboxamide

C11H19NO2 — CID 43500945

IUPACN-(1-hydroxy-2-methylpropan-2-yl)cyclohex-3-ene-1-carboxamide
SMILESCC(C)(CO)NC(=O)C1CC=CCC1
InChIInChI=1S/C11H19NO2/c1-11(2,8-13)12-10(14)9-6-4-3-5-7-9/h3-4,9,13H,5-8H2,1-2H3,(H,12,14)
InChIKeyJIKKPHJJPGHVDL-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.23
Rot. Bonds3

About N-(1-hydroxy-2-methylpropan-2-yl)cyclohex-3-ene-1-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 43500945) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)cyclohex-3-ene-1-carboxamide
PubChem CID43500945
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)cyclohex-3-ene-1-carboxamide
SMILESCC(C)(CO)NC(=O)C1CC=CCC1
InChIInChI=1S/C11H19NO2/c1-11(2,8-13)12-10(14)9-6-4-3-5-7-9/h3-4,9,13H,5-8H2,1-2H3,(H,12,14)
InChIKeyJIKKPHJJPGHVDL-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)cyclohex-3-ene-1-carboxamide (CID 43500945) is N-(1-hydroxy-2-methylpropan-2-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)cyclohex-3-ene-1-carboxamide is CC(C)(CO)NC(=O)C1CC=CCC1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is JIKKPHJJPGHVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,8-13)12-10(14)9-6-4-3-5-7-9/h3-4,9,13H,5-8H2,1-2H3,(H,12,14).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)cyclohex-3-ene-1-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 43500945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).