1-(cyclohex-2-en-1-ylmethyl)-2-methylpyrrolidine

C12H21N — CID 91027926

IUPAC1-(cyclohex-2-en-1-ylmethyl)-2-methylpyrrolidine
SMILESCC1CCCN1CC1C=CCCC1
InChIInChI=1S/C12H21N/c1-11-6-5-9-13(11)10-12-7-3-2-4-8-12/h3,7,11-12H,2,4-6,8-10H2,1H3
InChIKeyTXVSKDVMBCBSFR-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.83
Rot. Bonds2

About 1-(cyclohex-2-en-1-ylmethyl)-2-methylpyrrolidine

1-(cyclohex-2-en-1-ylmethyl)-2-methylpyrrolidine (PubChem CID 91027926) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-(cyclohex-2-en-1-ylmethyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name1-(cyclohex-2-en-1-ylmethyl)-2-methylpyrrolidine
PubChem CID91027926
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-(cyclohex-2-en-1-ylmethyl)-2-methylpyrrolidine
SMILESCC1CCCN1CC1C=CCCC1
InChIInChI=1S/C12H21N/c1-11-6-5-9-13(11)10-12-7-3-2-4-8-12/h3,7,11-12H,2,4-6,8-10H2,1H3
InChIKeyTXVSKDVMBCBSFR-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(cyclohex-2-en-1-ylmethyl)-2-methylpyrrolidine?
The IUPAC name of 1-(cyclohex-2-en-1-ylmethyl)-2-methylpyrrolidine (CID 91027926) is 1-(cyclohex-2-en-1-ylmethyl)-2-methylpyrrolidine.
What is the SMILES notation for 1-(cyclohex-2-en-1-ylmethyl)-2-methylpyrrolidine?
The canonical SMILES for 1-(cyclohex-2-en-1-ylmethyl)-2-methylpyrrolidine is CC1CCCN1CC1C=CCCC1.
What is the InChIKey of 1-(cyclohex-2-en-1-ylmethyl)-2-methylpyrrolidine?
The InChIKey is TXVSKDVMBCBSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-11-6-5-9-13(11)10-12-7-3-2-4-8-12/h3,7,11-12H,2,4-6,8-10H2,1H3.
What are the key properties of 1-(cyclohex-2-en-1-ylmethyl)-2-methylpyrrolidine?
1-(cyclohex-2-en-1-ylmethyl)-2-methylpyrrolidine has a molecular weight of 179.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-2-en-1-ylmethyl)-2-methylpyrrolidine is sourced from PubChem (CID 91027926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).