1-[2-(propan-2-ylamino)ethyl]pyridin-2-one

C10H16N2O — CID 61387322

IUPAC1-[2-(propan-2-ylamino)ethyl]pyridin-2-one
SMILESCC(C)NCCn1ccccc1=O
InChIInChI=1S/C10H16N2O/c1-9(2)11-6-8-12-7-4-3-5-10(12)13/h3-5,7,9,11H,6,8H2,1-2H3
InChIKeySUOPBVPRACMQIB-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.85
Rot. Bonds4

About 1-[2-(propan-2-ylamino)ethyl]pyridin-2-one

1-[2-(propan-2-ylamino)ethyl]pyridin-2-one (PubChem CID 61387322) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-[2-(propan-2-ylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(propan-2-ylamino)ethyl]pyridin-2-one
PubChem CID61387322
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-[2-(propan-2-ylamino)ethyl]pyridin-2-one
SMILESCC(C)NCCn1ccccc1=O
InChIInChI=1S/C10H16N2O/c1-9(2)11-6-8-12-7-4-3-5-10(12)13/h3-5,7,9,11H,6,8H2,1-2H3
InChIKeySUOPBVPRACMQIB-UHFFFAOYSA-N
XLogP0.85
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(propan-2-ylamino)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(propan-2-ylamino)ethyl]pyridin-2-one (CID 61387322) is 1-[2-(propan-2-ylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(propan-2-ylamino)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(propan-2-ylamino)ethyl]pyridin-2-one is CC(C)NCCn1ccccc1=O.
What is the InChIKey of 1-[2-(propan-2-ylamino)ethyl]pyridin-2-one?
The InChIKey is SUOPBVPRACMQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-9(2)11-6-8-12-7-4-3-5-10(12)13/h3-5,7,9,11H,6,8H2,1-2H3.
What are the key properties of 1-[2-(propan-2-ylamino)ethyl]pyridin-2-one?
1-[2-(propan-2-ylamino)ethyl]pyridin-2-one has a molecular weight of 180.25 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(propan-2-ylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 61387322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).