1-[(E)-2-(6,6-dimethylcyclohexen-1-yl)ethenyl]pyrrolidine

C14H23N — CID 10081695

IUPAC1-[(E)-2-(6,6-dimethylcyclohexen-1-yl)ethenyl]pyrrolidine
SMILESCC1(C)CCCC=C1/C=C/N1CCCC1
InChIInChI=1S/C14H23N/c1-14(2)9-4-3-7-13(14)8-12-15-10-5-6-11-15/h7-8,12H,3-6,9-11H2,1-2H3/b12-8+
InChIKeySJKYGWRQVFBLGM-XYOKQWHBSA-N
MW205.34 g/mol
LogP3.73
Rot. Bonds2

About 1-[(E)-2-(6,6-dimethylcyclohexen-1-yl)ethenyl]pyrrolidine

1-[(E)-2-(6,6-dimethylcyclohexen-1-yl)ethenyl]pyrrolidine (PubChem CID 10081695) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-[(E)-2-(6,6-dimethylcyclohexen-1-yl)ethenyl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-2-(6,6-dimethylcyclohexen-1-yl)ethenyl]pyrrolidine
PubChem CID10081695
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-[(E)-2-(6,6-dimethylcyclohexen-1-yl)ethenyl]pyrrolidine
SMILESCC1(C)CCCC=C1/C=C/N1CCCC1
InChIInChI=1S/C14H23N/c1-14(2)9-4-3-7-13(14)8-12-15-10-5-6-11-15/h7-8,12H,3-6,9-11H2,1-2H3/b12-8+
InChIKeySJKYGWRQVFBLGM-XYOKQWHBSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(6,6-dimethylcyclohexen-1-yl)ethenyl]pyrrolidine?
The IUPAC name of 1-[(E)-2-(6,6-dimethylcyclohexen-1-yl)ethenyl]pyrrolidine (CID 10081695) is 1-[(E)-2-(6,6-dimethylcyclohexen-1-yl)ethenyl]pyrrolidine.
What is the SMILES notation for 1-[(E)-2-(6,6-dimethylcyclohexen-1-yl)ethenyl]pyrrolidine?
The canonical SMILES for 1-[(E)-2-(6,6-dimethylcyclohexen-1-yl)ethenyl]pyrrolidine is CC1(C)CCCC=C1/C=C/N1CCCC1.
What is the InChIKey of 1-[(E)-2-(6,6-dimethylcyclohexen-1-yl)ethenyl]pyrrolidine?
The InChIKey is SJKYGWRQVFBLGM-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H23N/c1-14(2)9-4-3-7-13(14)8-12-15-10-5-6-11-15/h7-8,12H,3-6,9-11H2,1-2H3/b12-8+.
What are the key properties of 1-[(E)-2-(6,6-dimethylcyclohexen-1-yl)ethenyl]pyrrolidine?
1-[(E)-2-(6,6-dimethylcyclohexen-1-yl)ethenyl]pyrrolidine has a molecular weight of 205.34 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(6,6-dimethylcyclohexen-1-yl)ethenyl]pyrrolidine is sourced from PubChem (CID 10081695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).