2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one

C16H19BrN2O2 — CID 107517571

IUPAC2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1C(=O)c1ncccc1Br
InChIInChI=1S/C16H19BrN2O2/c17-12-6-3-9-18-15(12)16(21)19-10-4-7-13(19)11-5-1-2-8-14(11)20/h3,6,9,11,13H,1-2,4-5,7-8,10H2
InChIKeyKKVOOWOADWNFMQ-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.21
Rot. Bonds2

About 2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one

2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 107517571) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID107517571
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1C(=O)c1ncccc1Br
InChIInChI=1S/C16H19BrN2O2/c17-12-6-3-9-18-15(12)16(21)19-10-4-7-13(19)11-5-1-2-8-14(11)20/h3,6,9,11,13H,1-2,4-5,7-8,10H2
InChIKeyKKVOOWOADWNFMQ-UHFFFAOYSA-N
XLogP3.21
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-bromobenzoyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79539470
[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-(3-bromo-2-pyridinyl)methanone
CID 129402805
1-(3-bromopyridine-2-carbonyl)piperidine-2-carboxamide
CID 107518190
2-[1-(5-bromothiophene-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79546011
2-[1-(5-bromopyridine-2-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79547562
2-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 103766476
2-[1-(3-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 82809405
2-[1-(3-bromobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79548256
3-[1-(3-bromopyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 107517068
1-[1-(3-bromopyridine-2-carbonyl)azepan-2-yl]propan-2-one
CID 107517573
2-[1-(4-bromo-3-hydroxybenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 103957729
2-[1-(5-fluoropyridine-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 115697992

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one (CID 107517571) is 2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCN1C(=O)c1ncccc1Br.
What is the InChIKey of 2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is KKVOOWOADWNFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c17-12-6-3-9-18-15(12)16(21)19-10-4-7-13(19)11-5-1-2-8-14(11)20/h3,6,9,11,13H,1-2,4-5,7-8,10H2.
What are the key properties of 2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 351.24 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 107517571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).