2-[1-(3-hydroxypyridine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one

C15H18N2O3 — CID 81445915

IUPAC2-[1-(3-hydroxypyridine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCN1C(=O)c1ccncc1O
InChIInChI=1S/C15H18N2O3/c18-13-5-1-3-10(13)12-4-2-8-17(12)15(20)11-6-7-16-9-14(11)19/h6-7,9-10,12,19H,1-5,8H2
InChIKeySKJDFDCTKWGCJP-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.76
Rot. Bonds2

About 2-[1-(3-hydroxypyridine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one

2-[1-(3-hydroxypyridine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 81445915) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[1-(3-hydroxypyridine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(3-hydroxypyridine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID81445915
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[1-(3-hydroxypyridine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCN1C(=O)c1ccncc1O
InChIInChI=1S/C15H18N2O3/c18-13-5-1-3-10(13)12-4-2-8-17(12)15(20)11-6-7-16-9-14(11)19/h6-7,9-10,12,19H,1-5,8H2
InChIKeySKJDFDCTKWGCJP-UHFFFAOYSA-N
XLogP1.76
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-hydroxypyridine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(3-hydroxypyridine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one (CID 81445915) is 2-[1-(3-hydroxypyridine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(3-hydroxypyridine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(3-hydroxypyridine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one is O=C1CCCC1C1CCCN1C(=O)c1ccncc1O.
What is the InChIKey of 2-[1-(3-hydroxypyridine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is SKJDFDCTKWGCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-13-5-1-3-10(13)12-4-2-8-17(12)15(20)11-6-7-16-9-14(11)19/h6-7,9-10,12,19H,1-5,8H2.
What are the key properties of 2-[1-(3-hydroxypyridine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-(3-hydroxypyridine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 274.32 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-hydroxypyridine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 81445915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).