1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)pyrrole

C12H20N2 — CID 130655641

IUPAC1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)pyrrole
SMILESCC(C)(CN1CCCC1)n1cccc1
InChIInChI=1S/C12H20N2/c1-12(2,14-9-5-6-10-14)11-13-7-3-4-8-13/h5-6,9-10H,3-4,7-8,11H2,1-2H3
InChIKeyBHXHENODBCNVBM-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.32
Rot. Bonds3

About 1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)pyrrole

1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)pyrrole (PubChem CID 130655641) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)pyrrole.

Molecular Properties

Compound Name1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)pyrrole
PubChem CID130655641
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)pyrrole
SMILESCC(C)(CN1CCCC1)n1cccc1
InChIInChI=1S/C12H20N2/c1-12(2,14-9-5-6-10-14)11-13-7-3-4-8-13/h5-6,9-10H,3-4,7-8,11H2,1-2H3
InChIKeyBHXHENODBCNVBM-UHFFFAOYSA-N
XLogP2.32
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)pyrrole?
The IUPAC name of 1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)pyrrole (CID 130655641) is 1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)pyrrole.
What is the SMILES notation for 1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)pyrrole?
The canonical SMILES for 1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)pyrrole is CC(C)(CN1CCCC1)n1cccc1.
What is the InChIKey of 1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)pyrrole?
The InChIKey is BHXHENODBCNVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(2,14-9-5-6-10-14)11-13-7-3-4-8-13/h5-6,9-10H,3-4,7-8,11H2,1-2H3.
What are the key properties of 1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)pyrrole?
1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)pyrrole has a molecular weight of 192.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)pyrrole is sourced from PubChem (CID 130655641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).