N-cyclohexa-1,5-dien-1-yl-2-iminoacetamide

C8H10N2O — CID 163985409

IUPACN-cyclohexa-1,5-dien-1-yl-2-iminoacetamide
SMILES[H]/N=C/C(=O)NC1=CCCC=C1
InChIInChI=1S/C8H10N2O/c9-6-8(11)10-7-4-2-1-3-5-7/h2,4-6,9H,1,3H2,(H,10,11)/b9-6+
InChIKeyTVWBVJOCEZAIAZ-RMKNXTFCSA-N
MW150.18 g/mol
LogP0.99
Rot. Bonds2

About N-cyclohexa-1,5-dien-1-yl-2-iminoacetamide

N-cyclohexa-1,5-dien-1-yl-2-iminoacetamide (PubChem CID 163985409) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-2-iminoacetamide.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-2-iminoacetamide
PubChem CID163985409
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC NameN-cyclohexa-1,5-dien-1-yl-2-iminoacetamide
SMILES[H]/N=C/C(=O)NC1=CCCC=C1
InChIInChI=1S/C8H10N2O/c9-6-8(11)10-7-4-2-1-3-5-7/h2,4-6,9H,1,3H2,(H,10,11)/b9-6+
InChIKeyTVWBVJOCEZAIAZ-RMKNXTFCSA-N
XLogP0.99
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.99
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 N-cyclohexa-1,5-dien-1-yl-2-iminoacetamide?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-2-iminoacetamide (CID 163985409) is N-cyclohexa-1,5-dien-1-yl-2-iminoacetamide.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-2-iminoacetamide?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-2-iminoacetamide is [H]/N=C/C(=O)NC1=CCCC=C1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-2-iminoacetamide?
The InChIKey is TVWBVJOCEZAIAZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H10N2O/c9-6-8(11)10-7-4-2-1-3-5-7/h2,4-6,9H,1,3H2,(H,10,11)/b9-6+.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-2-iminoacetamide?
N-cyclohexa-1,5-dien-1-yl-2-iminoacetamide has a molecular weight of 150.18 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-2-iminoacetamide is sourced from PubChem (CID 163985409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).