[3-(4-chlorophenyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone

C16H20ClNO2 — CID 75497061

IUPAC[3-(4-chlorophenyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)N1CCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H20ClNO2/c1-11-15(7-9-20-11)16(19)18-8-6-13(10-18)12-2-4-14(17)5-3-12/h2-5,11,13,15H,6-10H2,1H3
InChIKeySMYPKVWXUZGSEQ-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.08
Rot. Bonds2

About [3-(4-chlorophenyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone

[3-(4-chlorophenyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone (PubChem CID 75497061) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is [3-(4-chlorophenyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone
PubChem CID75497061
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name[3-(4-chlorophenyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)N1CCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H20ClNO2/c1-11-15(7-9-20-11)16(19)18-8-6-13(10-18)12-2-4-14(17)5-3-12/h2-5,11,13,15H,6-10H2,1H3
InChIKeySMYPKVWXUZGSEQ-UHFFFAOYSA-N
XLogP3.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[3-(4-chlorophenyl)azepane-1-carbonyl]piperidin-1-yl]ethanone
CID 121146440
(3-hydroxy-4-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 103900749
(2-methyloxolan-3-yl)-[4-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methanone
CID 166314237
2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 83541941
1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79750690
(3-bromo-4-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 102962350
(3S)-3-(4-chlorophenyl)-N-propan-2-ylazepane-1-carboxamide
CID 99876758
2-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82134062
(3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide
CID 126433474
(2-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 79759463
(2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 5331349
[3-(4-chlorophenyl)azepan-1-yl]-(9H-xanthen-9-yl)methanone
CID 121146566

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone?
The IUPAC name of [3-(4-chlorophenyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone (CID 75497061) is [3-(4-chlorophenyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone is CC1OCCC1C(=O)N1CCC(c2ccc(Cl)cc2)C1.
What is the InChIKey of [3-(4-chlorophenyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone?
The InChIKey is SMYPKVWXUZGSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-11-15(7-9-20-11)16(19)18-8-6-13(10-18)12-2-4-14(17)5-3-12/h2-5,11,13,15H,6-10H2,1H3.
What are the key properties of [3-(4-chlorophenyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone?
[3-(4-chlorophenyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone has a molecular weight of 293.79 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 75497061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).