1-(2-methyl-3-pyrrolidin-1-ylprop-1-enyl)pyrrolidine

C12H22N2 — CID 131865391

IUPAC1-(2-methyl-3-pyrrolidin-1-ylprop-1-enyl)pyrrolidine
SMILESCC(=CN1CCCC1)CN1CCCC1
InChIInChI=1S/C12H22N2/c1-12(10-13-6-2-3-7-13)11-14-8-4-5-9-14/h10H,2-9,11H2,1H3
InChIKeyNAQWPGJTWCGTJR-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.08
Rot. Bonds3

About 1-(2-methyl-3-pyrrolidin-1-ylprop-1-enyl)pyrrolidine

1-(2-methyl-3-pyrrolidin-1-ylprop-1-enyl)pyrrolidine (PubChem CID 131865391) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(2-methyl-3-pyrrolidin-1-ylprop-1-enyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-methyl-3-pyrrolidin-1-ylprop-1-enyl)pyrrolidine
PubChem CID131865391
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(2-methyl-3-pyrrolidin-1-ylprop-1-enyl)pyrrolidine
SMILESCC(=CN1CCCC1)CN1CCCC1
InChIInChI=1S/C12H22N2/c1-12(10-13-6-2-3-7-13)11-14-8-4-5-9-14/h10H,2-9,11H2,1H3
InChIKeyNAQWPGJTWCGTJR-UHFFFAOYSA-N
XLogP2.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-pyrrolidin-1-ylprop-1-enyl)pyrrolidine?
The IUPAC name of 1-(2-methyl-3-pyrrolidin-1-ylprop-1-enyl)pyrrolidine (CID 131865391) is 1-(2-methyl-3-pyrrolidin-1-ylprop-1-enyl)pyrrolidine.
What is the SMILES notation for 1-(2-methyl-3-pyrrolidin-1-ylprop-1-enyl)pyrrolidine?
The canonical SMILES for 1-(2-methyl-3-pyrrolidin-1-ylprop-1-enyl)pyrrolidine is CC(=CN1CCCC1)CN1CCCC1.
What is the InChIKey of 1-(2-methyl-3-pyrrolidin-1-ylprop-1-enyl)pyrrolidine?
The InChIKey is NAQWPGJTWCGTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-12(10-13-6-2-3-7-13)11-14-8-4-5-9-14/h10H,2-9,11H2,1H3.
What are the key properties of 1-(2-methyl-3-pyrrolidin-1-ylprop-1-enyl)pyrrolidine?
1-(2-methyl-3-pyrrolidin-1-ylprop-1-enyl)pyrrolidine has a molecular weight of 194.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-pyrrolidin-1-ylprop-1-enyl)pyrrolidine is sourced from PubChem (CID 131865391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).