(3S,3aS,6aR)-6a-hydroxy-3-(2-phenylethyl)-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-one

C15H19NO2 — CID 14202075

IUPAC(3S,3aS,6aR)-6a-hydroxy-3-(2-phenylethyl)-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-one
SMILESO=C1N[C@@]2(O)CCC[C@H]2[C@@H]1CCc1ccccc1
InChIInChI=1S/C15H19NO2/c17-14-12(9-8-11-5-2-1-3-6-11)13-7-4-10-15(13,18)16-14/h1-3,5-6,12-13,18H,4,7-10H2,(H,16,17)/t12-,13-,15+/m0/s1
InChIKeyBNUBGYCZUHGKMI-KCQAQPDRSA-N
MW245.32 g/mol
LogP1.85
Rot. Bonds3

About (3S,3aS,6aR)-6a-hydroxy-3-(2-phenylethyl)-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-one

(3S,3aS,6aR)-6a-hydroxy-3-(2-phenylethyl)-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-one (PubChem CID 14202075) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (3S,3aS,6aR)-6a-hydroxy-3-(2-phenylethyl)-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-one.

Molecular Properties

Compound Name(3S,3aS,6aR)-6a-hydroxy-3-(2-phenylethyl)-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-one
PubChem CID14202075
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(3S,3aS,6aR)-6a-hydroxy-3-(2-phenylethyl)-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-one
SMILESO=C1N[C@@]2(O)CCC[C@H]2[C@@H]1CCc1ccccc1
InChIInChI=1S/C15H19NO2/c17-14-12(9-8-11-5-2-1-3-6-11)13-7-4-10-15(13,18)16-14/h1-3,5-6,12-13,18H,4,7-10H2,(H,16,17)/t12-,13-,15+/m0/s1
InChIKeyBNUBGYCZUHGKMI-KCQAQPDRSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,3aR,6aS)-3-benzyl-6a-hydroxy-3-methyl-3a,4,5,6-tetrahydro-1H-cyclopenta[b]pyrrol-2-one
CID 10014760
3-(2-phenylethyl)piperidin-2-one
CID 10798202
(3R,4S)-4-(2-phenylethyl)-3-propan-2-ylazetidin-2-one
CID 15422959
(3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one
CID 10559556
(4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one
CID 101209097
2-phenylethylcyclooctane
CID 54073487
1-methyl-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 67491873
cis-(1S,2R)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754802
cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754803
4-(2-phenylethyl)cyclohexan-1-one
CID 18980498
methyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate
CID 67920649
3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 55484424

Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6aR)-6a-hydroxy-3-(2-phenylethyl)-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-one?
The IUPAC name of (3S,3aS,6aR)-6a-hydroxy-3-(2-phenylethyl)-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-one (CID 14202075) is (3S,3aS,6aR)-6a-hydroxy-3-(2-phenylethyl)-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-one.
What is the SMILES notation for (3S,3aS,6aR)-6a-hydroxy-3-(2-phenylethyl)-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-one?
The canonical SMILES for (3S,3aS,6aR)-6a-hydroxy-3-(2-phenylethyl)-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-one is O=C1N[C@@]2(O)CCC[C@H]2[C@@H]1CCc1ccccc1.
What is the InChIKey of (3S,3aS,6aR)-6a-hydroxy-3-(2-phenylethyl)-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-one?
The InChIKey is BNUBGYCZUHGKMI-KCQAQPDRSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14-12(9-8-11-5-2-1-3-6-11)13-7-4-10-15(13,18)16-14/h1-3,5-6,12-13,18H,4,7-10H2,(H,16,17)/t12-,13-,15+/m0/s1.
What are the key properties of (3S,3aS,6aR)-6a-hydroxy-3-(2-phenylethyl)-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-one?
(3S,3aS,6aR)-6a-hydroxy-3-(2-phenylethyl)-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-one has a molecular weight of 245.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6aR)-6a-hydroxy-3-(2-phenylethyl)-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-one is sourced from PubChem (CID 14202075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).