N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide

C13H15N3O2 — CID 5395312

IUPACN-[(E)-1-(furan-2-yl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
SMILESC/C(=N\NC(=O)Cc1cccn1C)c1ccco1
InChIInChI=1S/C13H15N3O2/c1-10(12-6-4-8-18-12)14-15-13(17)9-11-5-3-7-16(11)2/h3-8H,9H2,1-2H3,(H,15,17)/b14-10+
InChIKeyKNJHNFQASHYEDJ-GXDHUFHOSA-N
MW245.28 g/mol
LogP1.70
Rot. Bonds4

About N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide

N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide (PubChem CID 5395312) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(furan-2-yl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
PubChem CID5395312
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[(E)-1-(furan-2-yl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
SMILESC/C(=N\NC(=O)Cc1cccn1C)c1ccco1
InChIInChI=1S/C13H15N3O2/c1-10(12-6-4-8-18-12)14-15-13(17)9-11-5-3-7-16(11)2/h3-8H,9H2,1-2H3,(H,15,17)/b14-10+
InChIKeyKNJHNFQASHYEDJ-GXDHUFHOSA-N
XLogP1.70
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.70
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)-1-(furan-2-yl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
The IUPAC name of N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide (CID 5395312) is N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide.
What is the SMILES notation for N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
The canonical SMILES for N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide is C/C(=N\NC(=O)Cc1cccn1C)c1ccco1.
What is the InChIKey of N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
The InChIKey is KNJHNFQASHYEDJ-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10(12-6-4-8-18-12)14-15-13(17)9-11-5-3-7-16(11)2/h3-8H,9H2,1-2H3,(H,15,17)/b14-10+.
What are the key properties of N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide has a molecular weight of 245.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide is sourced from PubChem (CID 5395312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).