pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride

C9H17ClN2O — CID 67294247

IUPACpyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCNC1)N1CCCC1
InChIInChI=1S/C9H16N2O.ClH/c12-9(8-3-4-10-7-8)11-5-1-2-6-11;/h8,10H,1-7H2;1H
InChIKeyREOSUYHONOZWGO-UHFFFAOYSA-N
MW204.70 g/mol
LogP0.64
Rot. Bonds1

About pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride

pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride (PubChem CID 67294247) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Namepyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
PubChem CID67294247
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Namepyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCNC1)N1CCCC1
InChIInChI=1S/C9H16N2O.ClH/c12-9(8-3-4-10-7-8)11-5-1-2-6-11;/h8,10H,1-7H2;1H
InChIKeyREOSUYHONOZWGO-UHFFFAOYSA-N
XLogP0.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
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(4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119803734
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424
[(3R)-3-aminopiperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 131163040
1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837309
(4-tert-butylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119787780
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
[(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 107222844
(4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 57463734
[(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
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CID 81120944

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride?
The IUPAC name of pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride (CID 67294247) is pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride.
What is the SMILES notation for pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride?
The canonical SMILES for pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride is Cl.O=C(C1CCNC1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride?
The InChIKey is REOSUYHONOZWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.ClH/c12-9(8-3-4-10-7-8)11-5-1-2-6-11;/h8,10H,1-7H2;1H.
What are the key properties of pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride?
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride has a molecular weight of 204.70 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride is sourced from PubChem (CID 67294247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).