1-(1-cyclohexylethenyl)pyrrolidine

C12H21N — CID 12685490

IUPAC1-(1-cyclohexylethenyl)pyrrolidine
SMILESC=C(C1CCCCC1)N1CCCC1
InChIInChI=1S/C12H21N/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12/h12H,1-10H2
InChIKeyMVWCCYOPQMPJBO-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.18
Rot. Bonds2

About 1-(1-cyclohexylethenyl)pyrrolidine

1-(1-cyclohexylethenyl)pyrrolidine (PubChem CID 12685490) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-(1-cyclohexylethenyl)pyrrolidine.

Molecular Properties

Compound Name1-(1-cyclohexylethenyl)pyrrolidine
PubChem CID12685490
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-(1-cyclohexylethenyl)pyrrolidine
SMILESC=C(C1CCCCC1)N1CCCC1
InChIInChI=1S/C12H21N/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12/h12H,1-10H2
InChIKeyMVWCCYOPQMPJBO-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylethenyl)pyrrolidine?
The IUPAC name of 1-(1-cyclohexylethenyl)pyrrolidine (CID 12685490) is 1-(1-cyclohexylethenyl)pyrrolidine.
What is the SMILES notation for 1-(1-cyclohexylethenyl)pyrrolidine?
The canonical SMILES for 1-(1-cyclohexylethenyl)pyrrolidine is C=C(C1CCCCC1)N1CCCC1.
What is the InChIKey of 1-(1-cyclohexylethenyl)pyrrolidine?
The InChIKey is MVWCCYOPQMPJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12/h12H,1-10H2.
What are the key properties of 1-(1-cyclohexylethenyl)pyrrolidine?
1-(1-cyclohexylethenyl)pyrrolidine has a molecular weight of 179.31 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylethenyl)pyrrolidine is sourced from PubChem (CID 12685490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).