N-[(E)-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylideneamino]acetamide

C15H18N4O — CID 7256184

IUPACN-[(E)-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1cccn1-c1ccc(N(C)C)cc1
InChIInChI=1S/C15H18N4O/c1-12(20)17-16-11-15-5-4-10-19(15)14-8-6-13(7-9-14)18(2)3/h4-11H,1-3H3,(H,17,20)/b16-11+
InChIKeyBAOBYEQEWQWBTB-LFIBNONCSA-N
MW270.34 g/mol
LogP2.01
Rot. Bonds4

About N-[(E)-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylideneamino]acetamide

N-[(E)-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylideneamino]acetamide (PubChem CID 7256184) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[(E)-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylideneamino]acetamide
PubChem CID7256184
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[(E)-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1cccn1-c1ccc(N(C)C)cc1
InChIInChI=1S/C15H18N4O/c1-12(20)17-16-11-15-5-4-10-19(15)14-8-6-13(7-9-14)18(2)3/h4-11H,1-3H3,(H,17,20)/b16-11+
InChIKeyBAOBYEQEWQWBTB-LFIBNONCSA-N
XLogP2.01
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'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-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylideneamino]acetamide?
The IUPAC name of N-[(E)-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylideneamino]acetamide (CID 7256184) is N-[(E)-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylideneamino]acetamide.
What is the SMILES notation for N-[(E)-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylideneamino]acetamide?
The canonical SMILES for N-[(E)-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylideneamino]acetamide is CC(=O)N/N=C/c1cccn1-c1ccc(N(C)C)cc1.
What is the InChIKey of N-[(E)-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylideneamino]acetamide?
The InChIKey is BAOBYEQEWQWBTB-LFIBNONCSA-N. The full InChI is InChI=1S/C15H18N4O/c1-12(20)17-16-11-15-5-4-10-19(15)14-8-6-13(7-9-14)18(2)3/h4-11H,1-3H3,(H,17,20)/b16-11+.
What are the key properties of N-[(E)-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylideneamino]acetamide?
N-[(E)-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylideneamino]acetamide has a molecular weight of 270.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 7256184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).