1-(2-chlorofuran-3-carbonyl)piperidin-3-one

C10H10ClNO3 — CID 106685034

IUPAC1-(2-chlorofuran-3-carbonyl)piperidin-3-one
SMILESO=C1CCCN(C(=O)c2ccoc2Cl)C1
InChIInChI=1S/C10H10ClNO3/c11-9-8(3-5-15-9)10(14)12-4-1-2-7(13)6-12/h3,5H,1-2,4,6H2
InChIKeyHAGXNBMTXYOHLN-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.74
Rot. Bonds1

About 1-(2-chlorofuran-3-carbonyl)piperidin-3-one

1-(2-chlorofuran-3-carbonyl)piperidin-3-one (PubChem CID 106685034) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-carbonyl)piperidin-3-one.

Molecular Properties

Compound Name1-(2-chlorofuran-3-carbonyl)piperidin-3-one
PubChem CID106685034
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name1-(2-chlorofuran-3-carbonyl)piperidin-3-one
SMILESO=C1CCCN(C(=O)c2ccoc2Cl)C1
InChIInChI=1S/C10H10ClNO3/c11-9-8(3-5-15-9)10(14)12-4-1-2-7(13)6-12/h3,5H,1-2,4,6H2
InChIKeyHAGXNBMTXYOHLN-UHFFFAOYSA-N
XLogP1.74
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromofuran-3-carbonyl)piperidin-3-one
CID 106852248
1-(3-chloro-2-methylbenzoyl)piperidin-3-one
CID 107096876
1-(2-chlorofuran-3-carbonyl)-1,4-diazepan-5-one
CID 106686783
(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-chlorofuran-3-yl)methanone
CID 106683250
(2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 106685117
(2-chlorofuran-3-yl)-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 106686229
(2-chlorofuran-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 106685702
(2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 106686990
(2-chlorofuran-3-yl)-(3-methoxypiperidin-1-yl)methanone
CID 106687373
1-(2-chlorofuran-3-carbonyl)azetidine-3-carboxylic acid
CID 106683486
1-(pyridazine-4-carbonyl)piperidin-3-one
CID 104670556
(2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 106685458

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-carbonyl)piperidin-3-one?
The IUPAC name of 1-(2-chlorofuran-3-carbonyl)piperidin-3-one (CID 106685034) is 1-(2-chlorofuran-3-carbonyl)piperidin-3-one.
What is the SMILES notation for 1-(2-chlorofuran-3-carbonyl)piperidin-3-one?
The canonical SMILES for 1-(2-chlorofuran-3-carbonyl)piperidin-3-one is O=C1CCCN(C(=O)c2ccoc2Cl)C1.
What is the InChIKey of 1-(2-chlorofuran-3-carbonyl)piperidin-3-one?
The InChIKey is HAGXNBMTXYOHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c11-9-8(3-5-15-9)10(14)12-4-1-2-7(13)6-12/h3,5H,1-2,4,6H2.
What are the key properties of 1-(2-chlorofuran-3-carbonyl)piperidin-3-one?
1-(2-chlorofuran-3-carbonyl)piperidin-3-one has a molecular weight of 227.65 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-carbonyl)piperidin-3-one is sourced from PubChem (CID 106685034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).