N-[(Z)-1-amino-3-anilinoprop-2-enylidene]-2-(1-methylpyrrol-2-yl)acetamide;molecular hydrogen

C16H20N4O — CID 142372327

IUPACN-[(Z)-1-amino-3-anilinoprop-2-enylidene]-2-(1-methylpyrrol-2-yl)acetamide;molecular hydrogen
SMILESCn1cccc1CC(=O)/N=C(N)/C=C\Nc1ccccc1.[H][H]
InChIInChI=1S/C16H18N4O.H2/c1-20-11-5-8-14(20)12-16(21)19-15(17)9-10-18-13-6-3-2-4-7-13;/h2-11,18H,12H2,1H3,(H2,17,19,21);1H/b10-9-;
InChIKeyBWBHARKZRZPGQK-KVVVOXFISA-N
MW284.36 g/mol
LogP2.32
Rot. Bonds5

About N-[(Z)-1-amino-3-anilinoprop-2-enylidene]-2-(1-methylpyrrol-2-yl)acetamide;molecular hydrogen

N-[(Z)-1-amino-3-anilinoprop-2-enylidene]-2-(1-methylpyrrol-2-yl)acetamide;molecular hydrogen (PubChem CID 142372327) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-anilinoprop-2-enylidene]-2-(1-methylpyrrol-2-yl)acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-anilinoprop-2-enylidene]-2-(1-methylpyrrol-2-yl)acetamide;molecular hydrogen
PubChem CID142372327
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[(Z)-1-amino-3-anilinoprop-2-enylidene]-2-(1-methylpyrrol-2-yl)acetamide;molecular hydrogen
SMILESCn1cccc1CC(=O)/N=C(N)/C=C\Nc1ccccc1.[H][H]
InChIInChI=1S/C16H18N4O.H2/c1-20-11-5-8-14(20)12-16(21)19-15(17)9-10-18-13-6-3-2-4-7-13;/h2-11,18H,12H2,1H3,(H2,17,19,21);1H/b10-9-;
InChIKeyBWBHARKZRZPGQK-KVVVOXFISA-N
XLogP2.32
TPSA72.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-anilinoprop-2-enylidene]-2-(1-methylpyrrol-2-yl)acetamide;molecular hydrogen?
The IUPAC name of N-[(Z)-1-amino-3-anilinoprop-2-enylidene]-2-(1-methylpyrrol-2-yl)acetamide;molecular hydrogen (CID 142372327) is N-[(Z)-1-amino-3-anilinoprop-2-enylidene]-2-(1-methylpyrrol-2-yl)acetamide;molecular hydrogen.
What is the SMILES notation for N-[(Z)-1-amino-3-anilinoprop-2-enylidene]-2-(1-methylpyrrol-2-yl)acetamide;molecular hydrogen?
The canonical SMILES for N-[(Z)-1-amino-3-anilinoprop-2-enylidene]-2-(1-methylpyrrol-2-yl)acetamide;molecular hydrogen is Cn1cccc1CC(=O)/N=C(N)/C=C\Nc1ccccc1.[H][H].
What is the InChIKey of N-[(Z)-1-amino-3-anilinoprop-2-enylidene]-2-(1-methylpyrrol-2-yl)acetamide;molecular hydrogen?
The InChIKey is BWBHARKZRZPGQK-KVVVOXFISA-N. The full InChI is InChI=1S/C16H18N4O.H2/c1-20-11-5-8-14(20)12-16(21)19-15(17)9-10-18-13-6-3-2-4-7-13;/h2-11,18H,12H2,1H3,(H2,17,19,21);1H/b10-9-;.
What are the key properties of N-[(Z)-1-amino-3-anilinoprop-2-enylidene]-2-(1-methylpyrrol-2-yl)acetamide;molecular hydrogen?
N-[(Z)-1-amino-3-anilinoprop-2-enylidene]-2-(1-methylpyrrol-2-yl)acetamide;molecular hydrogen has a molecular weight of 284.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-anilinoprop-2-enylidene]-2-(1-methylpyrrol-2-yl)acetamide;molecular hydrogen is sourced from PubChem (CID 142372327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).