N-(6-aminocyclohexa-2,4-dien-1-ylidene)acetamide

C8H10N2O — CID 45078687

IUPACN-(6-aminocyclohexa-2,4-dien-1-ylidene)acetamide
SMILESCC(=O)/N=C1\C=CC=CC1N
InChIInChI=1S/C8H10N2O/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5,7H,9H2,1H3/b10-8+
InChIKeyQPAXHVBDSXWEIY-CSKARUKUSA-N
MW150.18 g/mol
LogP0.43
Rot. Bonds

About N-(6-aminocyclohexa-2,4-dien-1-ylidene)acetamide

N-(6-aminocyclohexa-2,4-dien-1-ylidene)acetamide (PubChem CID 45078687) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is N-(6-aminocyclohexa-2,4-dien-1-ylidene)acetamide.

Molecular Properties

Compound NameN-(6-aminocyclohexa-2,4-dien-1-ylidene)acetamide
PubChem CID45078687
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC NameN-(6-aminocyclohexa-2,4-dien-1-ylidene)acetamide
SMILESCC(=O)/N=C1\C=CC=CC1N
InChIInChI=1S/C8H10N2O/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5,7H,9H2,1H3/b10-8+
InChIKeyQPAXHVBDSXWEIY-CSKARUKUSA-N
XLogP0.43
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.43
H-Bond Donors ≤ 51
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 N-(6-aminocyclohexa-2,4-dien-1-ylidene)acetamide?
The IUPAC name of N-(6-aminocyclohexa-2,4-dien-1-ylidene)acetamide (CID 45078687) is N-(6-aminocyclohexa-2,4-dien-1-ylidene)acetamide.
What is the SMILES notation for N-(6-aminocyclohexa-2,4-dien-1-ylidene)acetamide?
The canonical SMILES for N-(6-aminocyclohexa-2,4-dien-1-ylidene)acetamide is CC(=O)/N=C1\C=CC=CC1N.
What is the InChIKey of N-(6-aminocyclohexa-2,4-dien-1-ylidene)acetamide?
The InChIKey is QPAXHVBDSXWEIY-CSKARUKUSA-N. The full InChI is InChI=1S/C8H10N2O/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5,7H,9H2,1H3/b10-8+.
What are the key properties of N-(6-aminocyclohexa-2,4-dien-1-ylidene)acetamide?
N-(6-aminocyclohexa-2,4-dien-1-ylidene)acetamide has a molecular weight of 150.18 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminocyclohexa-2,4-dien-1-ylidene)acetamide is sourced from PubChem (CID 45078687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).