5-(methylaminomethyl)-6-propyl-1H-pyridin-2-one

C10H16N2O — CID 139458537

IUPAC5-(methylaminomethyl)-6-propyl-1H-pyridin-2-one
SMILESCCCc1[nH]c(=O)ccc1CNC
InChIInChI=1S/C10H16N2O/c1-3-4-9-8(7-11-2)5-6-10(13)12-9/h5-6,11H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyBLMQIZRLECHDRF-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.05
Rot. Bonds4

About 5-(methylaminomethyl)-6-propyl-1H-pyridin-2-one

5-(methylaminomethyl)-6-propyl-1H-pyridin-2-one (PubChem CID 139458537) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-(methylaminomethyl)-6-propyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(methylaminomethyl)-6-propyl-1H-pyridin-2-one
PubChem CID139458537
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-(methylaminomethyl)-6-propyl-1H-pyridin-2-one
SMILESCCCc1[nH]c(=O)ccc1CNC
InChIInChI=1S/C10H16N2O/c1-3-4-9-8(7-11-2)5-6-10(13)12-9/h5-6,11H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyBLMQIZRLECHDRF-UHFFFAOYSA-N
XLogP1.05
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-6-propyl-1H-pyridin-2-one?
The IUPAC name of 5-(methylaminomethyl)-6-propyl-1H-pyridin-2-one (CID 139458537) is 5-(methylaminomethyl)-6-propyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(methylaminomethyl)-6-propyl-1H-pyridin-2-one?
The canonical SMILES for 5-(methylaminomethyl)-6-propyl-1H-pyridin-2-one is CCCc1[nH]c(=O)ccc1CNC.
What is the InChIKey of 5-(methylaminomethyl)-6-propyl-1H-pyridin-2-one?
The InChIKey is BLMQIZRLECHDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-4-9-8(7-11-2)5-6-10(13)12-9/h5-6,11H,3-4,7H2,1-2H3,(H,12,13).
What are the key properties of 5-(methylaminomethyl)-6-propyl-1H-pyridin-2-one?
5-(methylaminomethyl)-6-propyl-1H-pyridin-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-6-propyl-1H-pyridin-2-one is sourced from PubChem (CID 139458537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).