5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-one

C17H18ClNO3 — CID 71790480

IUPAC5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1OC2CC1N(C(=O)C1(c3ccc(Cl)cc3)CCCC1)C2
InChIInChI=1S/C17H18ClNO3/c18-12-5-3-11(4-6-12)17(7-1-2-8-17)16(21)19-10-13-9-14(19)15(20)22-13/h3-6,13-14H,1-2,7-10H2
InChIKeyIXDDHKVAJVVUED-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.68
Rot. Bonds2

About 5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-one

5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-one (PubChem CID 71790480) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-one.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
PubChem CID71790480
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1OC2CC1N(C(=O)C1(c3ccc(Cl)cc3)CCCC1)C2
InChIInChI=1S/C17H18ClNO3/c18-12-5-3-11(4-6-12)17(7-1-2-8-17)16(21)19-10-13-9-14(19)15(20)22-13/h3-6,13-14H,1-2,7-10H2
InChIKeyIXDDHKVAJVVUED-UHFFFAOYSA-N
XLogP2.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-one with MolForge

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Related Compounds

5-(4-Chlorobenzoyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
CID 71790466
(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl(1-(4-chlorophenyl)cyclopentyl)methanone
CID 71795942
5-(2-(2-Chlorophenyl)acetyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
CID 71790490
8-[(2-Chloro-4-fluorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one formate
CID 172655885
1-(2-Oxa-5-azabicyclo[2.2.1]heptan-5-yl)-3-(4-chloro-3-fluorophenyl)propan-1-one
CID 178380175
5-(2-Phenylbutanoyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
CID 71790479
1-[1-(4-Chlorophenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxylic acid
CID 18624627
Ethyl 1-[2-(2,6-dichlorophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylate
CID 21469604
Ethyl 1-[2-(2,4-dichlorophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylate
CID 21469632
Ethyl 4-methoxy-1-[2-(2,4,6-trichlorophenyl)acetyl]pyrrolidine-2-carboxylate
CID 21469653
4-(4-Chlorophenyl)-1-(2-oxooxolan-3-yl)-3-phenylpyrrolidin-2-one
CID 23342868
(2R,4R)-1-[2-(4-chlorophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 28174427

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
The IUPAC name of 5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-one (CID 71790480) is 5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-one.
What is the SMILES notation for 5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
The canonical SMILES for 5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-one is O=C1OC2CC1N(C(=O)C1(c3ccc(Cl)cc3)CCCC1)C2.
What is the InChIKey of 5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
The InChIKey is IXDDHKVAJVVUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c18-12-5-3-11(4-6-12)17(7-1-2-8-17)16(21)19-10-13-9-14(19)15(20)22-13/h3-6,13-14H,1-2,7-10H2.
What are the key properties of 5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-one has a molecular weight of 319.79 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-one is sourced from PubChem (CID 71790480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).