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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Related Compounds

(5S)-5-(hydroxymethyl)-1-prop-2-enylpyrrolidin-2-one
CID 14443712
(5S)-5-(hydroxymethyl)-1-pent-4-enylpyrrolidin-2-one
CID 10797544
(8R,8aR)-8-hydroxy-2,5,8,8a-tetrahydro-1H-indolizin-3-one
CID 57385438
(8S,8aR)-8-hydroxy-2,5,8,8a-tetrahydro-1H-indolizin-3-one
CID 101577498
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylcyclohexa-2,5-dien-1-yl)methanone
CID 135042881
(8S,8aS)-8-hydroxy-2,5,8,8a-tetrahydro-1H-indolizin-3-one
CID 10606954
(5S)-1-[(E)-but-2-enyl]-5-(hydroxymethyl)pyrrolidin-2-one
CID 131232615
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 10679035
1-Allyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 14443711
1-[2-(Hydroxymethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 14788288
(E)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]octadec-9-en-1-one
CID 19893544
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]octadec-9-en-1-one
CID 54435681

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).