1-[2-[2-(2-hydroxypropyl)azepan-1-yl]ethyl]pyridin-2-one

C16H26N2O2 — CID 114338670

IUPAC1-[2-[2-(2-hydroxypropyl)azepan-1-yl]ethyl]pyridin-2-one
SMILESCC(O)CC1CCCCCN1CCn1ccccc1=O
InChIInChI=1S/C16H26N2O2/c1-14(19)13-15-7-3-2-5-9-17(15)11-12-18-10-6-4-8-16(18)20/h4,6,8,10,14-15,19H,2-3,5,7,9,11-13H2,1H3
InChIKeyLNBKNLOMZFWIQP-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.86
Rot. Bonds5

About 1-[2-[2-(2-hydroxypropyl)azepan-1-yl]ethyl]pyridin-2-one

1-[2-[2-(2-hydroxypropyl)azepan-1-yl]ethyl]pyridin-2-one (PubChem CID 114338670) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2-[2-(2-hydroxypropyl)azepan-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-(2-hydroxypropyl)azepan-1-yl]ethyl]pyridin-2-one
PubChem CID114338670
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[2-[2-(2-hydroxypropyl)azepan-1-yl]ethyl]pyridin-2-one
SMILESCC(O)CC1CCCCCN1CCn1ccccc1=O
InChIInChI=1S/C16H26N2O2/c1-14(19)13-15-7-3-2-5-9-17(15)11-12-18-10-6-4-8-16(18)20/h4,6,8,10,14-15,19H,2-3,5,7,9,11-13H2,1H3
InChIKeyLNBKNLOMZFWIQP-UHFFFAOYSA-N
XLogP1.86
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-hydroxypropyl)azepan-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[2-(2-hydroxypropyl)azepan-1-yl]ethyl]pyridin-2-one (CID 114338670) is 1-[2-[2-(2-hydroxypropyl)azepan-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[2-(2-hydroxypropyl)azepan-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[2-(2-hydroxypropyl)azepan-1-yl]ethyl]pyridin-2-one is CC(O)CC1CCCCCN1CCn1ccccc1=O.
What is the InChIKey of 1-[2-[2-(2-hydroxypropyl)azepan-1-yl]ethyl]pyridin-2-one?
The InChIKey is LNBKNLOMZFWIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-14(19)13-15-7-3-2-5-9-17(15)11-12-18-10-6-4-8-16(18)20/h4,6,8,10,14-15,19H,2-3,5,7,9,11-13H2,1H3.
What are the key properties of 1-[2-[2-(2-hydroxypropyl)azepan-1-yl]ethyl]pyridin-2-one?
1-[2-[2-(2-hydroxypropyl)azepan-1-yl]ethyl]pyridin-2-one has a molecular weight of 278.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-hydroxypropyl)azepan-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 114338670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).