(3aS,4S,6aR)-2-methyl-4-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol

C14H19NO — CID 15818088

IUPAC(3aS,4S,6aR)-2-methyl-4-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol
SMILESCN1C[C@@H]2CC[C@@](O)(c3ccccc3)[C@@H]2C1
InChIInChI=1S/C14H19NO/c1-15-9-11-7-8-14(16,13(11)10-15)12-5-3-2-4-6-12/h2-6,11,13,16H,7-10H2,1H3/t11-,13+,14+/m0/s1
InChIKeyMTDZUFHPKHTIGY-IACUBPJLSA-N
MW217.31 g/mol
LogP1.85
Rot. Bonds1

About (3aS,4S,6aR)-2-methyl-4-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol

(3aS,4S,6aR)-2-methyl-4-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol (PubChem CID 15818088) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (3aS,4S,6aR)-2-methyl-4-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name(3aS,4S,6aR)-2-methyl-4-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol
PubChem CID15818088
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(3aS,4S,6aR)-2-methyl-4-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol
SMILESCN1C[C@@H]2CC[C@@](O)(c3ccccc3)[C@@H]2C1
InChIInChI=1S/C14H19NO/c1-15-9-11-7-8-14(16,13(11)10-15)12-5-3-2-4-6-12/h2-6,11,13,16H,7-10H2,1H3/t11-,13+,14+/m0/s1
InChIKeyMTDZUFHPKHTIGY-IACUBPJLSA-N
XLogP1.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,4S,6aR)-2-methyl-4-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol?
The IUPAC name of (3aS,4S,6aR)-2-methyl-4-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol (CID 15818088) is (3aS,4S,6aR)-2-methyl-4-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for (3aS,4S,6aR)-2-methyl-4-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol?
The canonical SMILES for (3aS,4S,6aR)-2-methyl-4-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol is CN1C[C@@H]2CC[C@@](O)(c3ccccc3)[C@@H]2C1.
What is the InChIKey of (3aS,4S,6aR)-2-methyl-4-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol?
The InChIKey is MTDZUFHPKHTIGY-IACUBPJLSA-N. The full InChI is InChI=1S/C14H19NO/c1-15-9-11-7-8-14(16,13(11)10-15)12-5-3-2-4-6-12/h2-6,11,13,16H,7-10H2,1H3/t11-,13+,14+/m0/s1.
What are the key properties of (3aS,4S,6aR)-2-methyl-4-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol?
(3aS,4S,6aR)-2-methyl-4-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol has a molecular weight of 217.31 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4S,6aR)-2-methyl-4-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 15818088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).