(2R)-1-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one

C14H21NO2 — CID 41168205

IUPAC(2R)-1-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
SMILESCC1=C(C)[C@@H](O)N(CCC2=CCCCC2)C1=O
InChIInChI=1S/C14H21NO2/c1-10-11(2)14(17)15(13(10)16)9-8-12-6-4-3-5-7-12/h6,13,16H,3-5,7-9H2,1-2H3/t13-/m1/s1
InChIKeyRHBNJMMVAUEMKR-CYBMUJFWSA-N
MW235.33 g/mol
LogP2.37
Rot. Bonds3

About (2R)-1-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one

(2R)-1-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one (PubChem CID 41168205) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2R)-1-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-1-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
PubChem CID41168205
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2R)-1-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
SMILESCC1=C(C)[C@@H](O)N(CCC2=CCCCC2)C1=O
InChIInChI=1S/C14H21NO2/c1-10-11(2)14(17)15(13(10)16)9-8-12-6-4-3-5-7-12/h6,13,16H,3-5,7-9H2,1-2H3/t13-/m1/s1
InChIKeyRHBNJMMVAUEMKR-CYBMUJFWSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide
CID 54058567
(Z,E)-N,N-diethyl-8-hydroxy-3,7-dimethyl-2,6-octadienamide
CID 86736490
(2E,6E)-N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide
CID 88779024
1-ethyl-2-hydroxy-3-(2-methylpropyl)-2H-pyrrol-5-one
CID 90781366
2-hydroxy-1-methyl-4-propyl-2H-pyrrol-5-one
CID 123934489
1-(bromomethyl)-3-heptyl-2-hydroxy-2H-pyrrol-5-one
CID 141085899
8-(hydroxymethyl)-2-methyl-4,5-dihydro-3H-cyclohepta[c]pyridin-1-one
CID 170343650
1-[3-(3-Hydroxycyclopenten-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione
CID 11402427
1-[2-(cyclohex-1-en-1-yl)ethyl]-5-hydroxy-3,4-dimethyl-1,5-dihydro-2H-pyrrol-2-one
CID 16478150
(2S)-1-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
CID 41168206
(E)-3-butyl-4-hydroxy-1-piperidin-1-ylhept-2-en-1-one
CID 101613959

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one?
The IUPAC name of (2R)-1-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one (CID 41168205) is (2R)-1-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-1-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one?
The canonical SMILES for (2R)-1-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one is CC1=C(C)[C@@H](O)N(CCC2=CCCCC2)C1=O.
What is the InChIKey of (2R)-1-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one?
The InChIKey is RHBNJMMVAUEMKR-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-11(2)14(17)15(13(10)16)9-8-12-6-4-3-5-7-12/h6,13,16H,3-5,7-9H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one?
(2R)-1-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one has a molecular weight of 235.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one is sourced from PubChem (CID 41168205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).