1-(furan-3-ylmethyl)-N-methoxy-N-methylpyrrole-2-carboxamide

C12H14N2O3 — CID 102384397

IUPAC1-(furan-3-ylmethyl)-N-methoxy-N-methylpyrrole-2-carboxamide
SMILESCON(C)C(=O)c1cccn1Cc1ccoc1
InChIInChI=1S/C12H14N2O3/c1-13(16-2)12(15)11-4-3-6-14(11)8-10-5-7-17-9-10/h3-7,9H,8H2,1-2H3
InChIKeyQUEMSPWGLQBEOJ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.76
Rot. Bonds4

About 1-(furan-3-ylmethyl)-N-methoxy-N-methylpyrrole-2-carboxamide

1-(furan-3-ylmethyl)-N-methoxy-N-methylpyrrole-2-carboxamide (PubChem CID 102384397) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-N-methoxy-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-N-methoxy-N-methylpyrrole-2-carboxamide
PubChem CID102384397
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-(furan-3-ylmethyl)-N-methoxy-N-methylpyrrole-2-carboxamide
SMILESCON(C)C(=O)c1cccn1Cc1ccoc1
InChIInChI=1S/C12H14N2O3/c1-13(16-2)12(15)11-4-3-6-14(11)8-10-5-7-17-9-10/h3-7,9H,8H2,1-2H3
InChIKeyQUEMSPWGLQBEOJ-UHFFFAOYSA-N
XLogP1.76
TPSA47.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Acetyl-1-furfurylpyrrole
CID 20560368
1-((Furan-2-yl)methyl)-1H-pyrrole-2-carbaldehyde
CID 529880
1-[2-(Diethylamino)ethyl]-3-(furan-2-yl)-4-(1-methylpyrrol-2-yl)pyrrole-2,5-dione
CID 44452718
(NE)-N-[[1-(furan-3-ylmethyl)pyridin-1-ium-3-yl]methylidene]hydroxylamine chloride
CID 45484591
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)picolinamide
CID 71803926
N-(3-furylmethyl)-N-methyl-5-oxo-1-(4-pyridinylmethyl)-3-pyrrolidinecarboxamide
CID 72932772
2-(Furan-3-ylmethyl)-9-methyl-6-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one
CID 118747098
N-[(2-Methoxypyridin-3-YL)methyl]-N,1-dimethyl-1H-pyrrole-2-carboxamide
CID 53185018
N-(3-furylmethyl)-N-methyl-2-(5-oxo-1,6-naphthyridin-6(5H)-yl)acetamide
CID 72939299
N-{[2-(2-Methoxyethyl)-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazin-3-YL]methyl}furan-3-carboxamide
CID 91909704
N-({2-Methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazin-3-YL}methyl)furan-3-carboxamide
CID 110876514
1-(1-Methyl-1H-pyrrole-2-carbonyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide
CID 124051946

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-N-methoxy-N-methylpyrrole-2-carboxamide?
The IUPAC name of 1-(furan-3-ylmethyl)-N-methoxy-N-methylpyrrole-2-carboxamide (CID 102384397) is 1-(furan-3-ylmethyl)-N-methoxy-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for 1-(furan-3-ylmethyl)-N-methoxy-N-methylpyrrole-2-carboxamide?
The canonical SMILES for 1-(furan-3-ylmethyl)-N-methoxy-N-methylpyrrole-2-carboxamide is CON(C)C(=O)c1cccn1Cc1ccoc1.
What is the InChIKey of 1-(furan-3-ylmethyl)-N-methoxy-N-methylpyrrole-2-carboxamide?
The InChIKey is QUEMSPWGLQBEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-13(16-2)12(15)11-4-3-6-14(11)8-10-5-7-17-9-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-(furan-3-ylmethyl)-N-methoxy-N-methylpyrrole-2-carboxamide?
1-(furan-3-ylmethyl)-N-methoxy-N-methylpyrrole-2-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-N-methoxy-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 102384397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).