6-methyl-1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridin-2-one

C14H22N2O2 — CID 62567530

IUPAC6-methyl-1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridin-2-one
SMILESCc1cccc(=O)n1CCNC(C)C1CCCO1
InChIInChI=1S/C14H22N2O2/c1-11-5-3-7-14(17)16(11)9-8-15-12(2)13-6-4-10-18-13/h3,5,7,12-13,15H,4,6,8-10H2,1-2H3
InChIKeyPWRCNHFFLOSNBN-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.31
Rot. Bonds5

About 6-methyl-1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridin-2-one

6-methyl-1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridin-2-one (PubChem CID 62567530) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 6-methyl-1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridin-2-one
PubChem CID62567530
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name6-methyl-1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridin-2-one
SMILESCc1cccc(=O)n1CCNC(C)C1CCCO1
InChIInChI=1S/C14H22N2O2/c1-11-5-3-7-14(17)16(11)9-8-15-12(2)13-6-4-10-18-13/h3,5,7,12-13,15H,4,6,8-10H2,1-2H3
InChIKeyPWRCNHFFLOSNBN-UHFFFAOYSA-N
XLogP1.31
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridin-2-one?
The IUPAC name of 6-methyl-1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridin-2-one (CID 62567530) is 6-methyl-1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridin-2-one.
What is the SMILES notation for 6-methyl-1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridin-2-one?
The canonical SMILES for 6-methyl-1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridin-2-one is Cc1cccc(=O)n1CCNC(C)C1CCCO1.
What is the InChIKey of 6-methyl-1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridin-2-one?
The InChIKey is PWRCNHFFLOSNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-5-3-7-14(17)16(11)9-8-15-12(2)13-6-4-10-18-13/h3,5,7,12-13,15H,4,6,8-10H2,1-2H3.
What are the key properties of 6-methyl-1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridin-2-one?
6-methyl-1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridin-2-one has a molecular weight of 250.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridin-2-one is sourced from PubChem (CID 62567530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).