N-[(2-hydroxyphenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C16H22N2O2 — CID 102891896

IUPACN-[(2-hydroxyphenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCN(Cc1ccccc1O)C(=O)C1NCC2CCCC21
InChIInChI=1S/C16H22N2O2/c1-18(10-12-5-2-3-8-14(12)19)16(20)15-13-7-4-6-11(13)9-17-15/h2-3,5,8,11,13,15,17,19H,4,6-7,9-10H2,1H3
InChIKeyJOILLBXOTGYMHI-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.74
Rot. Bonds3

About N-[(2-hydroxyphenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-[(2-hydroxyphenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102891896) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102891896
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(2-hydroxyphenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCN(Cc1ccccc1O)C(=O)C1NCC2CCCC21
InChIInChI=1S/C16H22N2O2/c1-18(10-12-5-2-3-8-14(12)19)16(20)15-13-7-4-6-11(13)9-17-15/h2-3,5,8,11,13,15,17,19H,4,6-7,9-10H2,1H3
InChIKeyJOILLBXOTGYMHI-UHFFFAOYSA-N
XLogP1.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromophenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891550
N-[(3-hydroxyphenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891898
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891672
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890726
N-(2-methoxyethyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892028
N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893333
N-(2,6-diethylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890146
N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893379
N-(4-methoxyphenyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892885
N-[(2-methoxyphenyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890133
N-(1-ethylpiperidin-4-yl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890692
N-cyclohexyl-N-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890287

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102891896) is N-[(2-hydroxyphenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is CN(Cc1ccccc1O)C(=O)C1NCC2CCCC21.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is JOILLBXOTGYMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-18(10-12-5-2-3-8-14(12)19)16(20)15-13-7-4-6-11(13)9-17-15/h2-3,5,8,11,13,15,17,19H,4,6-7,9-10H2,1H3.
What are the key properties of N-[(2-hydroxyphenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-[(2-hydroxyphenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102891896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).