3-(furan-3-carboximidoyl)-4-methylaniline

C12H12N2O — CID 155482576

IUPAC3-(furan-3-carboximidoyl)-4-methylaniline
SMILES[H]/N=C(\c1ccoc1)c1cc(N)ccc1C
InChIInChI=1S/C12H12N2O/c1-8-2-3-10(13)6-11(8)12(14)9-4-5-15-7-9/h2-7,14H,13H2,1H3/b14-12+
InChIKeyQBPLRSQLKKCKTO-WYMLVPIESA-N
MW200.24 g/mol
LogP2.59
Rot. Bonds2

About 3-(furan-3-carboximidoyl)-4-methylaniline

3-(furan-3-carboximidoyl)-4-methylaniline (PubChem CID 155482576) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(furan-3-carboximidoyl)-4-methylaniline.

Molecular Properties

Compound Name3-(furan-3-carboximidoyl)-4-methylaniline
PubChem CID155482576
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-(furan-3-carboximidoyl)-4-methylaniline
SMILES[H]/N=C(\c1ccoc1)c1cc(N)ccc1C
InChIInChI=1S/C12H12N2O/c1-8-2-3-10(13)6-11(8)12(14)9-4-5-15-7-9/h2-7,14H,13H2,1H3/b14-12+
InChIKeyQBPLRSQLKKCKTO-WYMLVPIESA-N
XLogP2.59
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-carboximidoyl)-4-methylaniline?
The IUPAC name of 3-(furan-3-carboximidoyl)-4-methylaniline (CID 155482576) is 3-(furan-3-carboximidoyl)-4-methylaniline.
What is the SMILES notation for 3-(furan-3-carboximidoyl)-4-methylaniline?
The canonical SMILES for 3-(furan-3-carboximidoyl)-4-methylaniline is [H]/N=C(\c1ccoc1)c1cc(N)ccc1C.
What is the InChIKey of 3-(furan-3-carboximidoyl)-4-methylaniline?
The InChIKey is QBPLRSQLKKCKTO-WYMLVPIESA-N. The full InChI is InChI=1S/C12H12N2O/c1-8-2-3-10(13)6-11(8)12(14)9-4-5-15-7-9/h2-7,14H,13H2,1H3/b14-12+.
What are the key properties of 3-(furan-3-carboximidoyl)-4-methylaniline?
3-(furan-3-carboximidoyl)-4-methylaniline has a molecular weight of 200.24 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-carboximidoyl)-4-methylaniline is sourced from PubChem (CID 155482576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).