[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone

C16H20N2O2 — CID 591168

IUPAC[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(C(=O)N2CCCC2)cc1)N1CCCC1
InChIInChI=1S/C16H20N2O2/c19-15(17-9-1-2-10-17)13-5-7-14(8-6-13)16(20)18-11-3-4-12-18/h5-8H,1-4,9-12H2
InChIKeyHQVHKTBIKQZOGM-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.16
Rot. Bonds2

About [4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone

[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 591168) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID591168
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(C(=O)N2CCCC2)cc1)N1CCCC1
InChIInChI=1S/C16H20N2O2/c19-15(17-9-1-2-10-17)13-5-7-14(8-6-13)16(20)18-11-3-4-12-18/h5-8H,1-4,9-12H2
InChIKeyHQVHKTBIKQZOGM-UHFFFAOYSA-N
XLogP2.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone (CID 591168) is [4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(C(=O)N2CCCC2)cc1)N1CCCC1.
What is the InChIKey of [4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is HQVHKTBIKQZOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15(17-9-1-2-10-17)13-5-7-14(8-6-13)16(20)18-11-3-4-12-18/h5-8H,1-4,9-12H2.
What are the key properties of [4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone?
[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 272.35 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 591168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).