1-methylpyrrolidin-2-one;1,8-naphthyridine

C13H15N3O — CID 67888040

IUPAC1-methylpyrrolidin-2-one;1,8-naphthyridine
SMILESCN1CCCC1=O.c1cnc2ncccc2c1
InChIInChI=1S/C8H6N2.C5H9NO/c1-3-7-4-2-6-10-8(7)9-5-1;1-6-4-2-3-5(6)7/h1-6H;2-4H2,1H3
InChIKeyFDADJQUIVPGRNG-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.87
Rot. Bonds

About 1-methylpyrrolidin-2-one;1,8-naphthyridine

1-methylpyrrolidin-2-one;1,8-naphthyridine (PubChem CID 67888040) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-methylpyrrolidin-2-one;1,8-naphthyridine.

Molecular Properties

Compound Name1-methylpyrrolidin-2-one;1,8-naphthyridine
PubChem CID67888040
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-methylpyrrolidin-2-one;1,8-naphthyridine
SMILESCN1CCCC1=O.c1cnc2ncccc2c1
InChIInChI=1S/C8H6N2.C5H9NO/c1-3-7-4-2-6-10-8(7)9-5-1;1-6-4-2-3-5(6)7/h1-6H;2-4H2,1H3
InChIKeyFDADJQUIVPGRNG-UHFFFAOYSA-N
XLogP1.87
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidin-2-one;1,8-naphthyridine?
The IUPAC name of 1-methylpyrrolidin-2-one;1,8-naphthyridine (CID 67888040) is 1-methylpyrrolidin-2-one;1,8-naphthyridine.
What is the SMILES notation for 1-methylpyrrolidin-2-one;1,8-naphthyridine?
The canonical SMILES for 1-methylpyrrolidin-2-one;1,8-naphthyridine is CN1CCCC1=O.c1cnc2ncccc2c1.
What is the InChIKey of 1-methylpyrrolidin-2-one;1,8-naphthyridine?
The InChIKey is FDADJQUIVPGRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C5H9NO/c1-3-7-4-2-6-10-8(7)9-5-1;1-6-4-2-3-5(6)7/h1-6H;2-4H2,1H3.
What are the key properties of 1-methylpyrrolidin-2-one;1,8-naphthyridine?
1-methylpyrrolidin-2-one;1,8-naphthyridine has a molecular weight of 229.28 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidin-2-one;1,8-naphthyridine is sourced from PubChem (CID 67888040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).