3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-propylpyrrolidin-2-yl)methanone

C15H26N2O — CID 106975639

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-propylpyrrolidin-2-yl)methanone
SMILESCCCC1(C(=O)N2CC3CCCC3C2)CCCN1
InChIInChI=1S/C15H26N2O/c1-2-7-15(8-4-9-16-15)14(18)17-10-12-5-3-6-13(12)11-17/h12-13,16H,2-11H2,1H3
InChIKeyIGJRNHLRFMTBIM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.17
Rot. Bonds3

About 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-propylpyrrolidin-2-yl)methanone

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-propylpyrrolidin-2-yl)methanone (PubChem CID 106975639) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-propylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-propylpyrrolidin-2-yl)methanone
PubChem CID106975639
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-propylpyrrolidin-2-yl)methanone
SMILESCCCC1(C(=O)N2CC3CCCC3C2)CCCN1
InChIInChI=1S/C15H26N2O/c1-2-7-15(8-4-9-16-15)14(18)17-10-12-5-3-6-13(12)11-17/h12-13,16H,2-11H2,1H3
InChIKeyIGJRNHLRFMTBIM-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-propylpyrrolidin-2-yl)methanone?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-propylpyrrolidin-2-yl)methanone (CID 106975639) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-propylpyrrolidin-2-yl)methanone.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-propylpyrrolidin-2-yl)methanone?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-propylpyrrolidin-2-yl)methanone is CCCC1(C(=O)N2CC3CCCC3C2)CCCN1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-propylpyrrolidin-2-yl)methanone?
The InChIKey is IGJRNHLRFMTBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-2-7-15(8-4-9-16-15)14(18)17-10-12-5-3-6-13(12)11-17/h12-13,16H,2-11H2,1H3.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-propylpyrrolidin-2-yl)methanone?
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-propylpyrrolidin-2-yl)methanone has a molecular weight of 250.39 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-propylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 106975639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).