pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride

C10H14Cl2N2O — CID 91623851

IUPACpyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(c1ccncc1)C1CCNC1
InChIInChI=1S/C10H12N2O.2ClH/c13-10(9-3-6-12-7-9)8-1-4-11-5-2-8;;/h1-2,4-5,9,12H,3,6-7H2;2*1H
InChIKeyYEKVWXMDEWNERV-UHFFFAOYSA-N
MW249.14 g/mol
LogP1.72
Rot. Bonds2

About pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride

pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride (PubChem CID 91623851) has the molecular formula C10H14Cl2N2O and a molecular weight of 249.14 g/mol. Its IUPAC name is pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride.

Molecular Properties

Compound Namepyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride
PubChem CID91623851
Molecular FormulaC10H14Cl2N2O
Molecular Weight249.14 g/mol
Exact Mass248.05
IUPAC Namepyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(c1ccncc1)C1CCNC1
InChIInChI=1S/C10H12N2O.2ClH/c13-10(9-3-6-12-7-9)8-1-4-11-5-2-8;;/h1-2,4-5,9,12H,3,6-7H2;2*1H
InChIKeyYEKVWXMDEWNERV-UHFFFAOYSA-N
XLogP1.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-[(3R)-pyrrolidin-3-yl]methanone
CID 86327261
methyl 4-[(3R)-pyrrolidine-3-carbonyl]benzoate
CID 99934590
piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride
CID 46736476
(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone
CID 83689928
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
(4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 13180305
furan-3-yl(pyrrolidin-3-yl)methanone
CID 116568441
pyrrolidin-3-yl pyridine-4-carboxylate;hydrochloride
CID 53409827
piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride
CID 73012650
3-(pyrrolidine-3-carbonyl)benzoic acid
CID 105473765
pyrrolidin-3-yl(quinolin-7-yl)methanone
CID 116568273
N-[3-[(pyrrolidine-3-carbonylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119861037

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride?
The IUPAC name of pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride (CID 91623851) is pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride.
What is the SMILES notation for pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride?
The canonical SMILES for pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride is Cl.Cl.O=C(c1ccncc1)C1CCNC1.
What is the InChIKey of pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride?
The InChIKey is YEKVWXMDEWNERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.2ClH/c13-10(9-3-6-12-7-9)8-1-4-11-5-2-8;;/h1-2,4-5,9,12H,3,6-7H2;2*1H.
What are the key properties of pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride?
pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride has a molecular weight of 249.14 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride is sourced from PubChem (CID 91623851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).