7-iminocyclohepta-1,5-diene-1-carboxamide

C8H10N2O — CID 123748950

IUPAC7-iminocyclohepta-1,5-diene-1-carboxamide
SMILES[H]/N=C1\C=CCCC=C1C(N)=O
InChIInChI=1S/C8H10N2O/c9-7-5-3-1-2-4-6(7)8(10)11/h3-5,9H,1-2H2,(H2,10,11)/b9-7+
InChIKeyBCMHOPITSDHEDU-VQHVLOKHSA-N
MW150.18 g/mol
LogP0.77
Rot. Bonds1

About 7-iminocyclohepta-1,5-diene-1-carboxamide

7-iminocyclohepta-1,5-diene-1-carboxamide (PubChem CID 123748950) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 7-iminocyclohepta-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name7-iminocyclohepta-1,5-diene-1-carboxamide
PubChem CID123748950
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name7-iminocyclohepta-1,5-diene-1-carboxamide
SMILES[H]/N=C1\C=CCCC=C1C(N)=O
InChIInChI=1S/C8H10N2O/c9-7-5-3-1-2-4-6(7)8(10)11/h3-5,9H,1-2H2,(H2,10,11)/b9-7+
InChIKeyBCMHOPITSDHEDU-VQHVLOKHSA-N
XLogP0.77
TPSA66.94 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 ≤ 50.77
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 7-iminocyclohepta-1,5-diene-1-carboxamide?
The IUPAC name of 7-iminocyclohepta-1,5-diene-1-carboxamide (CID 123748950) is 7-iminocyclohepta-1,5-diene-1-carboxamide.
What is the SMILES notation for 7-iminocyclohepta-1,5-diene-1-carboxamide?
The canonical SMILES for 7-iminocyclohepta-1,5-diene-1-carboxamide is [H]/N=C1\C=CCCC=C1C(N)=O.
What is the InChIKey of 7-iminocyclohepta-1,5-diene-1-carboxamide?
The InChIKey is BCMHOPITSDHEDU-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H10N2O/c9-7-5-3-1-2-4-6(7)8(10)11/h3-5,9H,1-2H2,(H2,10,11)/b9-7+.
What are the key properties of 7-iminocyclohepta-1,5-diene-1-carboxamide?
7-iminocyclohepta-1,5-diene-1-carboxamide has a molecular weight of 150.18 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iminocyclohepta-1,5-diene-1-carboxamide is sourced from PubChem (CID 123748950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).