3-hydroxy-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

C15H20N2O2 — CID 140683921

IUPAC3-hydroxy-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCc1cccc(NC(=O)N2CC3CCCC3C2O)c1
InChIInChI=1S/C15H20N2O2/c1-10-4-2-6-12(8-10)16-15(19)17-9-11-5-3-7-13(11)14(17)18/h2,4,6,8,11,13-14,18H,3,5,7,9H2,1H3,(H,16,19)
InChIKeyFYVUIEHUUJMLRJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.58
Rot. Bonds1

About 3-hydroxy-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

3-hydroxy-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 140683921) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-hydroxy-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID140683921
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-hydroxy-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCc1cccc(NC(=O)N2CC3CCCC3C2O)c1
InChIInChI=1S/C15H20N2O2/c1-10-4-2-6-12(8-10)16-15(19)17-9-11-5-3-7-13(11)14(17)18/h2,4,6,8,11,13-14,18H,3,5,7,9H2,1H3,(H,16,19)
InChIKeyFYVUIEHUUJMLRJ-UHFFFAOYSA-N
XLogP2.58
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-hydroxy-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide with MolForge

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Related Compounds

(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(3-methylphenyl)acetamide
CID 155981782
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 50747165
(3S,4S)-3,4-dihydroxy-N-[3-(3-methylphenyl)phenyl]piperidine-1-carboxamide
CID 118767375
1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3230204
(2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1442935
2-N-tert-butyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3697683
(2R)-1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 1442922
N-(3-methylphenyl)-2-oxopyrrolidine-1-carboxamide
CID 71380614
(2R)-2-methyl-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 35526941
4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 120988658
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 140683921) is 3-hydroxy-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is Cc1cccc(NC(=O)N2CC3CCCC3C2O)c1.
What is the InChIKey of 3-hydroxy-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is FYVUIEHUUJMLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-4-2-6-12(8-10)16-15(19)17-9-11-5-3-7-13(11)14(17)18/h2,4,6,8,11,13-14,18H,3,5,7,9H2,1H3,(H,16,19).
What are the key properties of 3-hydroxy-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
3-hydroxy-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 140683921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).