6-imino-N-methylcyclohexa-2,4-diene-1-carboxamide

C8H10N2O — CID 174461192

IUPAC6-imino-N-methylcyclohexa-2,4-diene-1-carboxamide
SMILES[H]/N=C1\C=CC=CC1C(=O)NC
InChIInChI=1S/C8H10N2O/c1-10-8(11)6-4-2-3-5-7(6)9/h2-6,9H,1H3,(H,10,11)/b9-7+
InChIKeyZMUAIUZCMSLTGE-VQHVLOKHSA-N
MW150.18 g/mol
LogP0.49
Rot. Bonds1

About 6-imino-N-methylcyclohexa-2,4-diene-1-carboxamide

6-imino-N-methylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 174461192) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 6-imino-N-methylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-imino-N-methylcyclohexa-2,4-diene-1-carboxamide
PubChem CID174461192
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name6-imino-N-methylcyclohexa-2,4-diene-1-carboxamide
SMILES[H]/N=C1\C=CC=CC1C(=O)NC
InChIInChI=1S/C8H10N2O/c1-10-8(11)6-4-2-3-5-7(6)9/h2-6,9H,1H3,(H,10,11)/b9-7+
InChIKeyZMUAIUZCMSLTGE-VQHVLOKHSA-N
XLogP0.49
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-imino-N-methylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-imino-N-methylcyclohexa-2,4-diene-1-carboxamide (CID 174461192) is 6-imino-N-methylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-imino-N-methylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-imino-N-methylcyclohexa-2,4-diene-1-carboxamide is [H]/N=C1\C=CC=CC1C(=O)NC.
What is the InChIKey of 6-imino-N-methylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is ZMUAIUZCMSLTGE-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H10N2O/c1-10-8(11)6-4-2-3-5-7(6)9/h2-6,9H,1H3,(H,10,11)/b9-7+.
What are the key properties of 6-imino-N-methylcyclohexa-2,4-diene-1-carboxamide?
6-imino-N-methylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 150.18 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-N-methylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 174461192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).