2-[(4-methoxycyclohex-2-en-1-yl)methyl]pyrrolidine

C12H21NO — CID 58771865

IUPAC2-[(4-methoxycyclohex-2-en-1-yl)methyl]pyrrolidine
SMILESCOC1C=CC(CC2CCCN2)CC1
InChIInChI=1S/C12H21NO/c1-14-12-6-4-10(5-7-12)9-11-3-2-8-13-11/h4,6,10-13H,2-3,5,7-9H2,1H3
InChIKeyHEPMRYZIUGYIRO-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.11
Rot. Bonds3

About 2-[(4-methoxycyclohex-2-en-1-yl)methyl]pyrrolidine

2-[(4-methoxycyclohex-2-en-1-yl)methyl]pyrrolidine (PubChem CID 58771865) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[(4-methoxycyclohex-2-en-1-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(4-methoxycyclohex-2-en-1-yl)methyl]pyrrolidine
PubChem CID58771865
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-[(4-methoxycyclohex-2-en-1-yl)methyl]pyrrolidine
SMILESCOC1C=CC(CC2CCCN2)CC1
InChIInChI=1S/C12H21NO/c1-14-12-6-4-10(5-7-12)9-11-3-2-8-13-11/h4,6,10-13H,2-3,5,7-9H2,1H3
InChIKeyHEPMRYZIUGYIRO-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.11
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 2-[(4-methoxycyclohex-2-en-1-yl)methyl]pyrrolidine?
The IUPAC name of 2-[(4-methoxycyclohex-2-en-1-yl)methyl]pyrrolidine (CID 58771865) is 2-[(4-methoxycyclohex-2-en-1-yl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(4-methoxycyclohex-2-en-1-yl)methyl]pyrrolidine?
The canonical SMILES for 2-[(4-methoxycyclohex-2-en-1-yl)methyl]pyrrolidine is COC1C=CC(CC2CCCN2)CC1.
What is the InChIKey of 2-[(4-methoxycyclohex-2-en-1-yl)methyl]pyrrolidine?
The InChIKey is HEPMRYZIUGYIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-14-12-6-4-10(5-7-12)9-11-3-2-8-13-11/h4,6,10-13H,2-3,5,7-9H2,1H3.
What are the key properties of 2-[(4-methoxycyclohex-2-en-1-yl)methyl]pyrrolidine?
2-[(4-methoxycyclohex-2-en-1-yl)methyl]pyrrolidine has a molecular weight of 195.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxycyclohex-2-en-1-yl)methyl]pyrrolidine is sourced from PubChem (CID 58771865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).