1-methylpyrrolidine;1H-pyridin-2-one

C10H16N2O — CID 143796889

IUPAC1-methylpyrrolidine;1H-pyridin-2-one
SMILESCN1CCCC1.O=c1cccc[nH]1
InChIInChI=1S/C5H5NO.C5H11N/c7-5-3-1-2-4-6-5;1-6-4-2-3-5-6/h1-4H,(H,6,7);2-5H2,1H3
InChIKeyZHBPFQRGBOJDPV-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.09
Rot. Bonds

About 1-methylpyrrolidine;1H-pyridin-2-one

1-methylpyrrolidine;1H-pyridin-2-one (PubChem CID 143796889) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methylpyrrolidine;1H-pyridin-2-one.

Molecular Properties

Compound Name1-methylpyrrolidine;1H-pyridin-2-one
PubChem CID143796889
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-methylpyrrolidine;1H-pyridin-2-one
SMILESCN1CCCC1.O=c1cccc[nH]1
InChIInChI=1S/C5H5NO.C5H11N/c7-5-3-1-2-4-6-5;1-6-4-2-3-5-6/h1-4H,(H,6,7);2-5H2,1H3
InChIKeyZHBPFQRGBOJDPV-UHFFFAOYSA-N
XLogP1.09
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidine;1H-pyridin-2-one?
The IUPAC name of 1-methylpyrrolidine;1H-pyridin-2-one (CID 143796889) is 1-methylpyrrolidine;1H-pyridin-2-one.
What is the SMILES notation for 1-methylpyrrolidine;1H-pyridin-2-one?
The canonical SMILES for 1-methylpyrrolidine;1H-pyridin-2-one is CN1CCCC1.O=c1cccc[nH]1.
What is the InChIKey of 1-methylpyrrolidine;1H-pyridin-2-one?
The InChIKey is ZHBPFQRGBOJDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.C5H11N/c7-5-3-1-2-4-6-5;1-6-4-2-3-5-6/h1-4H,(H,6,7);2-5H2,1H3.
What are the key properties of 1-methylpyrrolidine;1H-pyridin-2-one?
1-methylpyrrolidine;1H-pyridin-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidine;1H-pyridin-2-one is sourced from PubChem (CID 143796889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).