1-[2-[3-[(3aR,4R,6aS)-4-[(2-chlorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]phenoxy]ethyl]pyrrolidin-2-one

C27H31ClN2O3 — CID 110138756

IUPAC1-[2-[3-[(3aR,4R,6aS)-4-[(2-chlorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1cccc(C(=O)N2C[C@H]3CC[C@H](Cc4ccccc4Cl)[C@H]3C2)c1
InChIInChI=1S/C27H31ClN2O3/c28-25-8-2-1-5-20(25)15-19-10-11-22-17-30(18-24(19)22)27(32)21-6-3-7-23(16-21)33-14-13-29-12-4-9-26(29)31/h1-3,5-8,16,19,22,24H,4,9-15,17-18H2/t19-,22-,24-/m1/s1
InChIKeyYLTAUXZKRZRVSF-ZFJSRUIDSA-N
MW467.01 g/mol
LogP4.68
Rot. Bonds7

About 1-[2-[3-[(3aR,4R,6aS)-4-[(2-chlorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]phenoxy]ethyl]pyrrolidin-2-one

1-[2-[3-[(3aR,4R,6aS)-4-[(2-chlorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]phenoxy]ethyl]pyrrolidin-2-one (PubChem CID 110138756) has the molecular formula C27H31ClN2O3 and a molecular weight of 467.01 g/mol. Its IUPAC name is 1-[2-[3-[(3aR,4R,6aS)-4-[(2-chlorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]phenoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-[(3aR,4R,6aS)-4-[(2-chlorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
PubChem CID110138756
Molecular FormulaC27H31ClN2O3
Molecular Weight467.01 g/mol
Exact Mass466.20
IUPAC Name1-[2-[3-[(3aR,4R,6aS)-4-[(2-chlorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1cccc(C(=O)N2C[C@H]3CC[C@H](Cc4ccccc4Cl)[C@H]3C2)c1
InChIInChI=1S/C27H31ClN2O3/c28-25-8-2-1-5-20(25)15-19-10-11-22-17-30(18-24(19)22)27(32)21-6-3-7-23(16-21)33-14-13-29-12-4-9-26(29)31/h1-3,5-8,16,19,22,24H,4,9-15,17-18H2/t19-,22-,24-/m1/s1
InChIKeyYLTAUXZKRZRVSF-ZFJSRUIDSA-N
XLogP4.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.01
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[3-[(3aR,4R,6aS)-4-[(2-chlorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]phenoxy]ethyl]pyrrolidin-2-one with MolForge

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Related Compounds

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CID 129454058
1-[2-[3-[3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 132773007
1-[2-[3-[4-(quinolin-6-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 129458822
1-[2-[3-[(3R,4R)-3-hydroxy-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 110145337
1-[2-(3-aminophenoxy)ethyl]piperidin-2-one
CID 43365814
azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone
CID 100749219
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N-(1-methylcyclobutyl)-3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide
CID 46969344
2-(2-chlorophenyl)-1-[(3S)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[(3aR,4R,6aS)-4-[(2-chlorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]phenoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[3-[(3aR,4R,6aS)-4-[(2-chlorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]phenoxy]ethyl]pyrrolidin-2-one (CID 110138756) is 1-[2-[3-[(3aR,4R,6aS)-4-[(2-chlorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]phenoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[3-[(3aR,4R,6aS)-4-[(2-chlorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]phenoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[3-[(3aR,4R,6aS)-4-[(2-chlorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]phenoxy]ethyl]pyrrolidin-2-one is O=C1CCCN1CCOc1cccc(C(=O)N2C[C@H]3CC[C@H](Cc4ccccc4Cl)[C@H]3C2)c1.
What is the InChIKey of 1-[2-[3-[(3aR,4R,6aS)-4-[(2-chlorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]phenoxy]ethyl]pyrrolidin-2-one?
The InChIKey is YLTAUXZKRZRVSF-ZFJSRUIDSA-N. The full InChI is InChI=1S/C27H31ClN2O3/c28-25-8-2-1-5-20(25)15-19-10-11-22-17-30(18-24(19)22)27(32)21-6-3-7-23(16-21)33-14-13-29-12-4-9-26(29)31/h1-3,5-8,16,19,22,24H,4,9-15,17-18H2/t19-,22-,24-/m1/s1.
What are the key properties of 1-[2-[3-[(3aR,4R,6aS)-4-[(2-chlorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]phenoxy]ethyl]pyrrolidin-2-one?
1-[2-[3-[(3aR,4R,6aS)-4-[(2-chlorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]phenoxy]ethyl]pyrrolidin-2-one has a molecular weight of 467.01 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[(3aR,4R,6aS)-4-[(2-chlorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]phenoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 110138756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).