1-cyclohex-2-en-1-yl-5-(hydroxymethyl)pyrrolidin-2-one

C11H17NO2 — CID 14443719

IUPAC1-cyclohex-2-en-1-yl-5-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CCC(CO)N1C1C=CCCC1
InChIInChI=1S/C11H17NO2/c13-8-10-6-7-11(14)12(10)9-4-2-1-3-5-9/h2,4,9-10,13H,1,3,5-8H2
InChIKeyHBGCDMMSNYSFTO-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.08
Rot. Bonds2

About 1-cyclohex-2-en-1-yl-5-(hydroxymethyl)pyrrolidin-2-one

1-cyclohex-2-en-1-yl-5-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 14443719) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-5-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-5-(hydroxymethyl)pyrrolidin-2-one
PubChem CID14443719
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-cyclohex-2-en-1-yl-5-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CCC(CO)N1C1C=CCCC1
InChIInChI=1S/C11H17NO2/c13-8-10-6-7-11(14)12(10)9-4-2-1-3-5-9/h2,4,9-10,13H,1,3,5-8H2
InChIKeyHBGCDMMSNYSFTO-UHFFFAOYSA-N
XLogP1.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
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 1-cyclohex-2-en-1-yl-5-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-cyclohex-2-en-1-yl-5-(hydroxymethyl)pyrrolidin-2-one (CID 14443719) is 1-cyclohex-2-en-1-yl-5-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-5-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-cyclohex-2-en-1-yl-5-(hydroxymethyl)pyrrolidin-2-one is O=C1CCC(CO)N1C1C=CCCC1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-5-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is HBGCDMMSNYSFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-8-10-6-7-11(14)12(10)9-4-2-1-3-5-9/h2,4,9-10,13H,1,3,5-8H2.
What are the key properties of 1-cyclohex-2-en-1-yl-5-(hydroxymethyl)pyrrolidin-2-one?
1-cyclohex-2-en-1-yl-5-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 195.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-5-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 14443719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).