3-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrrolidine

C12H21NO — CID 63165908

IUPAC3-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrrolidine
SMILESCC1CC=CCC1COC1CCNC1
InChIInChI=1S/C12H21NO/c1-10-4-2-3-5-11(10)9-14-12-6-7-13-8-12/h2-3,10-13H,4-9H2,1H3
InChIKeyVCNRHQIQMBYPOH-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.97
Rot. Bonds3

About 3-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrrolidine

3-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrrolidine (PubChem CID 63165908) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrrolidine.

Molecular Properties

Compound Name3-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrrolidine
PubChem CID63165908
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrrolidine
SMILESCC1CC=CCC1COC1CCNC1
InChIInChI=1S/C12H21NO/c1-10-4-2-3-5-11(10)9-14-12-6-7-13-8-12/h2-3,10-13H,4-9H2,1H3
InChIKeyVCNRHQIQMBYPOH-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
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 3-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrrolidine?
The IUPAC name of 3-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrrolidine (CID 63165908) is 3-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrrolidine.
What is the SMILES notation for 3-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrrolidine?
The canonical SMILES for 3-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrrolidine is CC1CC=CCC1COC1CCNC1.
What is the InChIKey of 3-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrrolidine?
The InChIKey is VCNRHQIQMBYPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-4-2-3-5-11(10)9-14-12-6-7-13-8-12/h2-3,10-13H,4-9H2,1H3.
What are the key properties of 3-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrrolidine?
3-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrrolidine has a molecular weight of 195.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrrolidine is sourced from PubChem (CID 63165908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).