1,3-dimethylpyrrolidine;ethane;3H-pyrrole

C12H24N2 — CID 123771053

IUPAC1,3-dimethylpyrrolidine;ethane;3H-pyrrole
SMILESC1=CN=CC1.CC.CC1CCN(C)C1
InChIInChI=1S/C6H13N.C4H5N.C2H6/c1-6-3-4-7(2)5-6;1-2-4-5-3-1;1-2/h6H,3-5H2,1-2H3;1,3-4H,2H2;1-2H3
InChIKeyNTFGHLIGXSCBQC-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.96
Rot. Bonds

About 1,3-dimethylpyrrolidine;ethane;3H-pyrrole

1,3-dimethylpyrrolidine;ethane;3H-pyrrole (PubChem CID 123771053) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1,3-dimethylpyrrolidine;ethane;3H-pyrrole.

Molecular Properties

Compound Name1,3-dimethylpyrrolidine;ethane;3H-pyrrole
PubChem CID123771053
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1,3-dimethylpyrrolidine;ethane;3H-pyrrole
SMILESC1=CN=CC1.CC.CC1CCN(C)C1
InChIInChI=1S/C6H13N.C4H5N.C2H6/c1-6-3-4-7(2)5-6;1-2-4-5-3-1;1-2/h6H,3-5H2,1-2H3;1,3-4H,2H2;1-2H3
InChIKeyNTFGHLIGXSCBQC-UHFFFAOYSA-N
XLogP2.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrrolidine;ethane;3H-pyrrole?
The IUPAC name of 1,3-dimethylpyrrolidine;ethane;3H-pyrrole (CID 123771053) is 1,3-dimethylpyrrolidine;ethane;3H-pyrrole.
What is the SMILES notation for 1,3-dimethylpyrrolidine;ethane;3H-pyrrole?
The canonical SMILES for 1,3-dimethylpyrrolidine;ethane;3H-pyrrole is C1=CN=CC1.CC.CC1CCN(C)C1.
What is the InChIKey of 1,3-dimethylpyrrolidine;ethane;3H-pyrrole?
The InChIKey is NTFGHLIGXSCBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C4H5N.C2H6/c1-6-3-4-7(2)5-6;1-2-4-5-3-1;1-2/h6H,3-5H2,1-2H3;1,3-4H,2H2;1-2H3.
What are the key properties of 1,3-dimethylpyrrolidine;ethane;3H-pyrrole?
1,3-dimethylpyrrolidine;ethane;3H-pyrrole has a molecular weight of 196.34 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrrolidine;ethane;3H-pyrrole is sourced from PubChem (CID 123771053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).