1-methyl-7-(pyrrolidine-1-carbonyl)azepan-2-one

C12H20N2O2 — CID 110196294

IUPAC1-methyl-7-(pyrrolidine-1-carbonyl)azepan-2-one
SMILESCN1C(=O)CCCCC1C(=O)N1CCCC1
InChIInChI=1S/C12H20N2O2/c1-13-10(6-2-3-7-11(13)15)12(16)14-8-4-5-9-14/h10H,2-9H2,1H3
InChIKeyGFRGOJMFUJUIAI-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.01
Rot. Bonds1

About 1-methyl-7-(pyrrolidine-1-carbonyl)azepan-2-one

1-methyl-7-(pyrrolidine-1-carbonyl)azepan-2-one (PubChem CID 110196294) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-methyl-7-(pyrrolidine-1-carbonyl)azepan-2-one.

Molecular Properties

Compound Name1-methyl-7-(pyrrolidine-1-carbonyl)azepan-2-one
PubChem CID110196294
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-methyl-7-(pyrrolidine-1-carbonyl)azepan-2-one
SMILESCN1C(=O)CCCCC1C(=O)N1CCCC1
InChIInChI=1S/C12H20N2O2/c1-13-10(6-2-3-7-11(13)15)12(16)14-8-4-5-9-14/h10H,2-9H2,1H3
InChIKeyGFRGOJMFUJUIAI-UHFFFAOYSA-N
XLogP1.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(pyrrolidine-1-carbonyl)azepan-2-one?
The IUPAC name of 1-methyl-7-(pyrrolidine-1-carbonyl)azepan-2-one (CID 110196294) is 1-methyl-7-(pyrrolidine-1-carbonyl)azepan-2-one.
What is the SMILES notation for 1-methyl-7-(pyrrolidine-1-carbonyl)azepan-2-one?
The canonical SMILES for 1-methyl-7-(pyrrolidine-1-carbonyl)azepan-2-one is CN1C(=O)CCCCC1C(=O)N1CCCC1.
What is the InChIKey of 1-methyl-7-(pyrrolidine-1-carbonyl)azepan-2-one?
The InChIKey is GFRGOJMFUJUIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-13-10(6-2-3-7-11(13)15)12(16)14-8-4-5-9-14/h10H,2-9H2,1H3.
What are the key properties of 1-methyl-7-(pyrrolidine-1-carbonyl)azepan-2-one?
1-methyl-7-(pyrrolidine-1-carbonyl)azepan-2-one has a molecular weight of 224.30 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(pyrrolidine-1-carbonyl)azepan-2-one is sourced from PubChem (CID 110196294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).