[3-[2-(3-chlorophenyl)ethynyl]-3-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone

C17H14ClNO3 — CID 69318133

IUPAC[3-[2-(3-chlorophenyl)ethynyl]-3-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(O)(C#Cc2cccc(Cl)c2)C1
InChIInChI=1S/C17H14ClNO3/c18-14-4-1-3-13(11-14)6-7-17(21)8-9-19(12-17)16(20)15-5-2-10-22-15/h1-5,10-11,21H,8-9,12H2
InChIKeyDLEMQQPMBHFBHI-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.56
Rot. Bonds1

About [3-[2-(3-chlorophenyl)ethynyl]-3-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone

[3-[2-(3-chlorophenyl)ethynyl]-3-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone (PubChem CID 69318133) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is [3-[2-(3-chlorophenyl)ethynyl]-3-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[3-[2-(3-chlorophenyl)ethynyl]-3-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone
PubChem CID69318133
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name[3-[2-(3-chlorophenyl)ethynyl]-3-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(O)(C#Cc2cccc(Cl)c2)C1
InChIInChI=1S/C17H14ClNO3/c18-14-4-1-3-13(11-14)6-7-17(21)8-9-19(12-17)16(20)15-5-2-10-22-15/h1-5,10-11,21H,8-9,12H2
InChIKeyDLEMQQPMBHFBHI-UHFFFAOYSA-N
XLogP2.56
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[3-[2-(3-chlorophenyl)ethynyl]-3-hydroxypiperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 69317274
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
[4-[2-(3-chlorophenyl)ethynyl]-4-hydroxypiperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 69320476
(5-bromo-3-pyridinyl)-[4-[2-(3-chlorophenyl)ethynyl]-4-hydroxypiperidin-1-yl]methanone
CID 69320642
2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004656
(3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020168
[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-2-yl)methanone
CID 129349488
4-[2-(3-chlorophenyl)ethynyl]-1-(6-chloro-2-pyridinyl)piperidin-4-ol
CID 87781928
(5R)-N-(3-cyanophenyl)-9-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234690
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
CID 2225250

Frequently Asked Questions

What is the IUPAC name of [3-[2-(3-chlorophenyl)ethynyl]-3-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [3-[2-(3-chlorophenyl)ethynyl]-3-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone (CID 69318133) is [3-[2-(3-chlorophenyl)ethynyl]-3-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [3-[2-(3-chlorophenyl)ethynyl]-3-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [3-[2-(3-chlorophenyl)ethynyl]-3-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC(O)(C#Cc2cccc(Cl)c2)C1.
What is the InChIKey of [3-[2-(3-chlorophenyl)ethynyl]-3-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is DLEMQQPMBHFBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c18-14-4-1-3-13(11-14)6-7-17(21)8-9-19(12-17)16(20)15-5-2-10-22-15/h1-5,10-11,21H,8-9,12H2.
What are the key properties of [3-[2-(3-chlorophenyl)ethynyl]-3-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone?
[3-[2-(3-chlorophenyl)ethynyl]-3-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 315.76 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(3-chlorophenyl)ethynyl]-3-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 69318133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).