N-[(E)-4-methylpentan-2-ylideneamino]-1H-indole-2-carboxamide

C15H19N3O — CID 73356450

IUPACN-[(E)-4-methylpentan-2-ylideneamino]-1H-indole-2-carboxamide
SMILESC/C(CC(C)C)=N\NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H19N3O/c1-10(2)8-11(3)17-18-15(19)14-9-12-6-4-5-7-13(12)16-14/h4-7,9-10,16H,8H2,1-3H3,(H,18,19)/b17-11+
InChIKeyWVJASJNYERNCIZ-GZTJUZNOSA-N
MW257.34 g/mol
LogP3.32
Rot. Bonds4

About N-[(E)-4-methylpentan-2-ylideneamino]-1H-indole-2-carboxamide

N-[(E)-4-methylpentan-2-ylideneamino]-1H-indole-2-carboxamide (PubChem CID 73356450) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(E)-4-methylpentan-2-ylideneamino]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-4-methylpentan-2-ylideneamino]-1H-indole-2-carboxamide
PubChem CID73356450
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(E)-4-methylpentan-2-ylideneamino]-1H-indole-2-carboxamide
SMILESC/C(CC(C)C)=N\NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H19N3O/c1-10(2)8-11(3)17-18-15(19)14-9-12-6-4-5-7-13(12)16-14/h4-7,9-10,16H,8H2,1-3H3,(H,18,19)/b17-11+
InChIKeyWVJASJNYERNCIZ-GZTJUZNOSA-N
XLogP3.32
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-4-methylpentan-2-ylideneamino]-1H-indole-2-carboxamide?
The IUPAC name of N-[(E)-4-methylpentan-2-ylideneamino]-1H-indole-2-carboxamide (CID 73356450) is N-[(E)-4-methylpentan-2-ylideneamino]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(E)-4-methylpentan-2-ylideneamino]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(E)-4-methylpentan-2-ylideneamino]-1H-indole-2-carboxamide is C/C(CC(C)C)=N\NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(E)-4-methylpentan-2-ylideneamino]-1H-indole-2-carboxamide?
The InChIKey is WVJASJNYERNCIZ-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)8-11(3)17-18-15(19)14-9-12-6-4-5-7-13(12)16-14/h4-7,9-10,16H,8H2,1-3H3,(H,18,19)/b17-11+.
What are the key properties of N-[(E)-4-methylpentan-2-ylideneamino]-1H-indole-2-carboxamide?
N-[(E)-4-methylpentan-2-ylideneamino]-1H-indole-2-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-methylpentan-2-ylideneamino]-1H-indole-2-carboxamide is sourced from PubChem (CID 73356450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).