(6-imino-4-methylcyclohexa-2,4-dien-1-ylidene)azanide

C7H7N2- — CID 142069658

IUPAC(6-imino-4-methylcyclohexa-2,4-dien-1-ylidene)azanide
SMILES[H]/N=C1\C=C(C)C=CC1=[N-]
InChIInChI=1S/C7H7N2/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3/q-1/b9-7+
InChIKeyNGSOPGKEXWXWJX-VQHVLOKHSA-N
MW119.15 g/mol
LogP1.53
Rot. Bonds

About (6-imino-4-methylcyclohexa-2,4-dien-1-ylidene)azanide

(6-imino-4-methylcyclohexa-2,4-dien-1-ylidene)azanide (PubChem CID 142069658) has the molecular formula C7H7N2- and a molecular weight of 119.15 g/mol. Its IUPAC name is (6-imino-4-methylcyclohexa-2,4-dien-1-ylidene)azanide.

Molecular Properties

Compound Name(6-imino-4-methylcyclohexa-2,4-dien-1-ylidene)azanide
PubChem CID142069658
Molecular FormulaC7H7N2-
Molecular Weight119.15 g/mol
Exact Mass119.06
IUPAC Name(6-imino-4-methylcyclohexa-2,4-dien-1-ylidene)azanide
SMILES[H]/N=C1\C=C(C)C=CC1=[N-]
InChIInChI=1S/C7H7N2/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3/q-1/b9-7+
InChIKeyNGSOPGKEXWXWJX-VQHVLOKHSA-N
XLogP1.53
TPSA46.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.15
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-imino-4-methylcyclohexa-2,4-dien-1-ylidene)azanide?
The IUPAC name of (6-imino-4-methylcyclohexa-2,4-dien-1-ylidene)azanide (CID 142069658) is (6-imino-4-methylcyclohexa-2,4-dien-1-ylidene)azanide.
What is the SMILES notation for (6-imino-4-methylcyclohexa-2,4-dien-1-ylidene)azanide?
The canonical SMILES for (6-imino-4-methylcyclohexa-2,4-dien-1-ylidene)azanide is [H]/N=C1\C=C(C)C=CC1=[N-].
What is the InChIKey of (6-imino-4-methylcyclohexa-2,4-dien-1-ylidene)azanide?
The InChIKey is NGSOPGKEXWXWJX-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H7N2/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3/q-1/b9-7+.
What are the key properties of (6-imino-4-methylcyclohexa-2,4-dien-1-ylidene)azanide?
(6-imino-4-methylcyclohexa-2,4-dien-1-ylidene)azanide has a molecular weight of 119.15 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-imino-4-methylcyclohexa-2,4-dien-1-ylidene)azanide is sourced from PubChem (CID 142069658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).