cyclohex-3-en-1-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

C12H19NO2 — CID 62371831

IUPACcyclohex-3-en-1-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCC(CO)C1
InChIInChI=1S/C12H19NO2/c14-9-10-6-7-13(8-10)12(15)11-4-2-1-3-5-11/h1-2,10-11,14H,3-9H2
InChIKeyNELBFRPKEHEPQM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.18
Rot. Bonds2

About cyclohex-3-en-1-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

cyclohex-3-en-1-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 62371831) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID62371831
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Namecyclohex-3-en-1-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCC(CO)C1
InChIInChI=1S/C12H19NO2/c14-9-10-6-7-13(8-10)12(15)11-4-2-1-3-5-11/h1-2,10-11,14H,3-9H2
InChIKeyNELBFRPKEHEPQM-UHFFFAOYSA-N
XLogP1.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.18
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

cyclopent-3-en-1-yl-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 129371278
cyclohex-3-en-1-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62370931
[(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone
CID 102983809
(4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone
CID 43556220
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 129394437
cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200728
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 129367608
(1,1-dioxothiolan-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62372380
[(1S)-cyclohex-3-en-1-yl]-[3-(phenoxymethyl)azetidin-1-yl]methanone
CID 100678884
cyclopent-3-en-1-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208885
1-[(1S)-cyclohex-3-ene-1-carbonyl]azetidine-3-carbonitrile
CID 124891898
ethyl 4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazine-1-carboxylate
CID 94459894

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclohex-3-en-1-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 62371831) is cyclohex-3-en-1-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclohex-3-en-1-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(C1CC=CCC1)N1CCC(CO)C1.
What is the InChIKey of cyclohex-3-en-1-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is NELBFRPKEHEPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-9-10-6-7-13(8-10)12(15)11-4-2-1-3-5-11/h1-2,10-11,14H,3-9H2.
What are the key properties of cyclohex-3-en-1-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
cyclohex-3-en-1-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 209.29 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 62371831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).