2-(cyclohex-2-en-1-yloxymethyl)pyrrolidine

C11H19NO — CID 114620315

IUPAC2-(cyclohex-2-en-1-yloxymethyl)pyrrolidine
SMILESC1=CC(OCC2CCCN2)CCC1
InChIInChI=1S/C11H19NO/c1-2-6-11(7-3-1)13-9-10-5-4-8-12-10/h2,6,10-12H,1,3-5,7-9H2
InChIKeyPETBBYOWNKXIGX-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.86
Rot. Bonds3

About 2-(cyclohex-2-en-1-yloxymethyl)pyrrolidine

2-(cyclohex-2-en-1-yloxymethyl)pyrrolidine (PubChem CID 114620315) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(cyclohex-2-en-1-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-(cyclohex-2-en-1-yloxymethyl)pyrrolidine
PubChem CID114620315
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(cyclohex-2-en-1-yloxymethyl)pyrrolidine
SMILESC1=CC(OCC2CCCN2)CCC1
InChIInChI=1S/C11H19NO/c1-2-6-11(7-3-1)13-9-10-5-4-8-12-10/h2,6,10-12H,1,3-5,7-9H2
InChIKeyPETBBYOWNKXIGX-UHFFFAOYSA-N
XLogP1.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.86
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

2-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine
CID 145138576
2,3,3a,4,5,7a-Hexahydro-1,3-benzoxazole
CID 19962200
1-(7-Oxabicyclo[2.2.1]hept-5-en-2-ylamino)hexan-2-ol
CID 20649867
2-(7-Oxabicyclo[2.2.1]hept-5-en-2-ylamino)hexan-1-ol
CID 20649901
2-Prop-1-enyl-1-oxa-4-azaspiro[4.5]decane
CID 67423319
3-Ethyl-6-oxa-2-azaspiro[4.5]dec-8-ene
CID 68390210
2-[(Z)-prop-1-enyl]-1-oxa-4-azaspiro[4.5]decane
CID 69304954
N-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-amine
CID 117274958
2-Methyl-2,3,3a,4,5,7a-hexahydro-1,3-benzoxazole
CID 117615047
2-[(2,6-Dimethylcyclohexa-2,4-dien-1-yl)oxymethyl]pyrrolidine
CID 123251310
CID 141767357
CID 141767357
2-[[(2E,4Z)-hepta-2,4-dien-3-yl]oxymethyl]pyrrolidine
CID 142125216

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-2-en-1-yloxymethyl)pyrrolidine?
The IUPAC name of 2-(cyclohex-2-en-1-yloxymethyl)pyrrolidine (CID 114620315) is 2-(cyclohex-2-en-1-yloxymethyl)pyrrolidine.
What is the SMILES notation for 2-(cyclohex-2-en-1-yloxymethyl)pyrrolidine?
The canonical SMILES for 2-(cyclohex-2-en-1-yloxymethyl)pyrrolidine is C1=CC(OCC2CCCN2)CCC1.
What is the InChIKey of 2-(cyclohex-2-en-1-yloxymethyl)pyrrolidine?
The InChIKey is PETBBYOWNKXIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-6-11(7-3-1)13-9-10-5-4-8-12-10/h2,6,10-12H,1,3-5,7-9H2.
What are the key properties of 2-(cyclohex-2-en-1-yloxymethyl)pyrrolidine?
2-(cyclohex-2-en-1-yloxymethyl)pyrrolidine has a molecular weight of 181.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-2-en-1-yloxymethyl)pyrrolidine is sourced from PubChem (CID 114620315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).