5-formyl-N-[(1-hydroxycyclopentyl)methyl]-1H-pyrrole-2-carboxamide

C12H16N2O3 — CID 111825043

IUPAC5-formyl-N-[(1-hydroxycyclopentyl)methyl]-1H-pyrrole-2-carboxamide
SMILESO=Cc1ccc(C(=O)NCC2(O)CCCC2)[nH]1
InChIInChI=1S/C12H16N2O3/c15-7-9-3-4-10(14-9)11(16)13-8-12(17)5-1-2-6-12/h3-4,7,14,17H,1-2,5-6,8H2,(H,13,16)
InChIKeyZPLDVZJAZDJVGX-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.86
Rot. Bonds4

About 5-formyl-N-[(1-hydroxycyclopentyl)methyl]-1H-pyrrole-2-carboxamide

5-formyl-N-[(1-hydroxycyclopentyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 111825043) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-formyl-N-[(1-hydroxycyclopentyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-formyl-N-[(1-hydroxycyclopentyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID111825043
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-formyl-N-[(1-hydroxycyclopentyl)methyl]-1H-pyrrole-2-carboxamide
SMILESO=Cc1ccc(C(=O)NCC2(O)CCCC2)[nH]1
InChIInChI=1S/C12H16N2O3/c15-7-9-3-4-10(14-9)11(16)13-8-12(17)5-1-2-6-12/h3-4,7,14,17H,1-2,5-6,8H2,(H,13,16)
InChIKeyZPLDVZJAZDJVGX-UHFFFAOYSA-N
XLogP0.86
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446164
N-[(1-hydroxycyclobutyl)methyl]-1H-imidazole-5-carboxamide
CID 115668958
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111539885
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-nitro-1H-pyrrole-2-carboxamide
CID 65119424
2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113651
3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 104939070
2-anilino-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445640
6-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide
CID 109389046

Frequently Asked Questions

What is the IUPAC name of 5-formyl-N-[(1-hydroxycyclopentyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-formyl-N-[(1-hydroxycyclopentyl)methyl]-1H-pyrrole-2-carboxamide (CID 111825043) is 5-formyl-N-[(1-hydroxycyclopentyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-formyl-N-[(1-hydroxycyclopentyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-formyl-N-[(1-hydroxycyclopentyl)methyl]-1H-pyrrole-2-carboxamide is O=Cc1ccc(C(=O)NCC2(O)CCCC2)[nH]1.
What is the InChIKey of 5-formyl-N-[(1-hydroxycyclopentyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is ZPLDVZJAZDJVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-7-9-3-4-10(14-9)11(16)13-8-12(17)5-1-2-6-12/h3-4,7,14,17H,1-2,5-6,8H2,(H,13,16).
What are the key properties of 5-formyl-N-[(1-hydroxycyclopentyl)methyl]-1H-pyrrole-2-carboxamide?
5-formyl-N-[(1-hydroxycyclopentyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-N-[(1-hydroxycyclopentyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 111825043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).