N-methanehydrazonoyl-1-methylindole-2-carboxamide

C11H12N4O — CID 137240676

IUPACN-methanehydrazonoyl-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NC=NN)cc2ccccc21
InChIInChI=1S/C11H12N4O/c1-15-9-5-3-2-4-8(9)6-10(15)11(16)13-7-14-12/h2-7H,12H2,1H3,(H,13,14,16)
InChIKeyIPWQHQXMHGHPQI-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.81
Rot. Bonds2

About N-methanehydrazonoyl-1-methylindole-2-carboxamide

N-methanehydrazonoyl-1-methylindole-2-carboxamide (PubChem CID 137240676) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N-methanehydrazonoyl-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-methanehydrazonoyl-1-methylindole-2-carboxamide
PubChem CID137240676
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN-methanehydrazonoyl-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NC=NN)cc2ccccc21
InChIInChI=1S/C11H12N4O/c1-15-9-5-3-2-4-8(9)6-10(15)11(16)13-7-14-12/h2-7H,12H2,1H3,(H,13,14,16)
InChIKeyIPWQHQXMHGHPQI-UHFFFAOYSA-N
XLogP0.81
TPSA72.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-methanehydrazonoyl-1-methylindole-2-carboxamide?
The IUPAC name of N-methanehydrazonoyl-1-methylindole-2-carboxamide (CID 137240676) is N-methanehydrazonoyl-1-methylindole-2-carboxamide.
What is the SMILES notation for N-methanehydrazonoyl-1-methylindole-2-carboxamide?
The canonical SMILES for N-methanehydrazonoyl-1-methylindole-2-carboxamide is Cn1c(C(=O)NC=NN)cc2ccccc21.
What is the InChIKey of N-methanehydrazonoyl-1-methylindole-2-carboxamide?
The InChIKey is IPWQHQXMHGHPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-15-9-5-3-2-4-8(9)6-10(15)11(16)13-7-14-12/h2-7H,12H2,1H3,(H,13,14,16).
What are the key properties of N-methanehydrazonoyl-1-methylindole-2-carboxamide?
N-methanehydrazonoyl-1-methylindole-2-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methanehydrazonoyl-1-methylindole-2-carboxamide is sourced from PubChem (CID 137240676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).