1-methyl-2-(4-prop-2-enylcyclohexyl)pyrrolidine

C14H25N — CID 143494169

IUPAC1-methyl-2-(4-prop-2-enylcyclohexyl)pyrrolidine
SMILESC=CCC1CCC(C2CCCN2C)CC1
InChIInChI=1S/C14H25N/c1-3-5-12-7-9-13(10-8-12)14-6-4-11-15(14)2/h3,12-14H,1,4-11H2,2H3
InChIKeyXVAYCZBQZNOKGF-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.46
Rot. Bonds3

About 1-methyl-2-(4-prop-2-enylcyclohexyl)pyrrolidine

1-methyl-2-(4-prop-2-enylcyclohexyl)pyrrolidine (PubChem CID 143494169) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-methyl-2-(4-prop-2-enylcyclohexyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-(4-prop-2-enylcyclohexyl)pyrrolidine
PubChem CID143494169
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1-methyl-2-(4-prop-2-enylcyclohexyl)pyrrolidine
SMILESC=CCC1CCC(C2CCCN2C)CC1
InChIInChI=1S/C14H25N/c1-3-5-12-7-9-13(10-8-12)14-6-4-11-15(14)2/h3,12-14H,1,4-11H2,2H3
InChIKeyXVAYCZBQZNOKGF-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.46
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-methyl-2-(4-prop-2-enylcyclohexyl)pyrrolidine?
The IUPAC name of 1-methyl-2-(4-prop-2-enylcyclohexyl)pyrrolidine (CID 143494169) is 1-methyl-2-(4-prop-2-enylcyclohexyl)pyrrolidine.
What is the SMILES notation for 1-methyl-2-(4-prop-2-enylcyclohexyl)pyrrolidine?
The canonical SMILES for 1-methyl-2-(4-prop-2-enylcyclohexyl)pyrrolidine is C=CCC1CCC(C2CCCN2C)CC1.
What is the InChIKey of 1-methyl-2-(4-prop-2-enylcyclohexyl)pyrrolidine?
The InChIKey is XVAYCZBQZNOKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-3-5-12-7-9-13(10-8-12)14-6-4-11-15(14)2/h3,12-14H,1,4-11H2,2H3.
What are the key properties of 1-methyl-2-(4-prop-2-enylcyclohexyl)pyrrolidine?
1-methyl-2-(4-prop-2-enylcyclohexyl)pyrrolidine has a molecular weight of 207.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-prop-2-enylcyclohexyl)pyrrolidine is sourced from PubChem (CID 143494169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).