2-cyclobutylpyrrolidin-3-one;hydrochloride

C8H14ClNO — CID 115014602

IUPAC2-cyclobutylpyrrolidin-3-one;hydrochloride
SMILESCl.O=C1CCNC1C1CCC1
InChIInChI=1S/C8H13NO.ClH/c10-7-4-5-9-8(7)6-2-1-3-6;/h6,8-9H,1-5H2;1H
InChIKeySLDKZBGMDMELHB-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.14
Rot. Bonds1

About 2-cyclobutylpyrrolidin-3-one;hydrochloride

2-cyclobutylpyrrolidin-3-one;hydrochloride (PubChem CID 115014602) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 2-cyclobutylpyrrolidin-3-one;hydrochloride.

Molecular Properties

Compound Name2-cyclobutylpyrrolidin-3-one;hydrochloride
PubChem CID115014602
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name2-cyclobutylpyrrolidin-3-one;hydrochloride
SMILESCl.O=C1CCNC1C1CCC1
InChIInChI=1S/C8H13NO.ClH/c10-7-4-5-9-8(7)6-2-1-3-6;/h6,8-9H,1-5H2;1H
InChIKeySLDKZBGMDMELHB-UHFFFAOYSA-N
XLogP1.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexylpyrrolidin-3-one
CID 83826982
2-cyclopropylpiperidin-3-one
CID 115011356
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CID 165457744
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CID 115023225
8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
CID 91480965
(2R)-2-methylpyrrolidin-3-one
CID 67533631
1-cyclobutyl-7-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 141010496
1-cyclobutyl-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 141010505
2,3,4a,5,6,8,9,9a-octahydro-1H-thiepino[4,5-b]pyridin-4-one
CID 83915233
2,3,4,4a,6,7,8,8a-octahydro-1H-isoquinolin-5-one;hydrochloride
CID 146155403
7-chloro-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 67537734
6-chloro-1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 162662308

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylpyrrolidin-3-one;hydrochloride?
The IUPAC name of 2-cyclobutylpyrrolidin-3-one;hydrochloride (CID 115014602) is 2-cyclobutylpyrrolidin-3-one;hydrochloride.
What is the SMILES notation for 2-cyclobutylpyrrolidin-3-one;hydrochloride?
The canonical SMILES for 2-cyclobutylpyrrolidin-3-one;hydrochloride is Cl.O=C1CCNC1C1CCC1.
What is the InChIKey of 2-cyclobutylpyrrolidin-3-one;hydrochloride?
The InChIKey is SLDKZBGMDMELHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.ClH/c10-7-4-5-9-8(7)6-2-1-3-6;/h6,8-9H,1-5H2;1H.
What are the key properties of 2-cyclobutylpyrrolidin-3-one;hydrochloride?
2-cyclobutylpyrrolidin-3-one;hydrochloride has a molecular weight of 175.66 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylpyrrolidin-3-one;hydrochloride is sourced from PubChem (CID 115014602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).