N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide

C15H17N3O2 — CID 6865181

IUPACN-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide
SMILESCC(/C=N/NC(=O)Cc1cccn1C)=C\c1ccco1
InChIInChI=1S/C15H17N3O2/c1-12(9-14-6-4-8-20-14)11-16-17-15(19)10-13-5-3-7-18(13)2/h3-9,11H,10H2,1-2H3,(H,17,19)/b12-9+,16-11+
InChIKeyMPVMJLIGSOLTPH-WBJPGKSWSA-N
MW271.32 g/mol
LogP2.37
Rot. Bonds5

About N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide

N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide (PubChem CID 6865181) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide
PubChem CID6865181
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide
SMILESCC(/C=N/NC(=O)Cc1cccn1C)=C\c1ccco1
InChIInChI=1S/C15H17N3O2/c1-12(9-14-6-4-8-20-14)11-16-17-15(19)10-13-5-3-7-18(13)2/h3-9,11H,10H2,1-2H3,(H,17,19)/b12-9+,16-11+
InChIKeyMPVMJLIGSOLTPH-WBJPGKSWSA-N
XLogP2.37
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide?
The IUPAC name of N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide (CID 6865181) is N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide.
What is the SMILES notation for N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide?
The canonical SMILES for N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide is CC(/C=N/NC(=O)Cc1cccn1C)=C\c1ccco1.
What is the InChIKey of N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide?
The InChIKey is MPVMJLIGSOLTPH-WBJPGKSWSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-12(9-14-6-4-8-20-14)11-16-17-15(19)10-13-5-3-7-18(13)2/h3-9,11H,10H2,1-2H3,(H,17,19)/b12-9+,16-11+.
What are the key properties of N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide?
N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide has a molecular weight of 271.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide is sourced from PubChem (CID 6865181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).