tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboximidamide

C10H8N2 — CID 87317193

IUPACtricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboximidamide
SMILES[H]/N=C(\N)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C10H8N2/c11-10(12)7-2-1-6-8-3-5(8)4-9(6)7/h1-4,8H,(H3,11,12)
InChIKeyYUGBBDDNVVPPGV-UHFFFAOYSA-N
MW156.19 g/mol
LogP1.28
Rot. Bonds1

About tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboximidamide

tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboximidamide (PubChem CID 87317193) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboximidamide.

Molecular Properties

Compound Nametricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboximidamide
PubChem CID87317193
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Nametricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboximidamide
SMILES[H]/N=C(\N)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C10H8N2/c11-10(12)7-2-1-6-8-3-5(8)4-9(6)7/h1-4,8H,(H3,11,12)
InChIKeyYUGBBDDNVVPPGV-UHFFFAOYSA-N
XLogP1.28
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboximidamide?
The IUPAC name of tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboximidamide (CID 87317193) is tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboximidamide.
What is the SMILES notation for tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboximidamide?
The canonical SMILES for tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboximidamide is [H]/N=C(\N)C1=CC=C2C1=CC1=CC12.
What is the InChIKey of tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboximidamide?
The InChIKey is YUGBBDDNVVPPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2/c11-10(12)7-2-1-6-8-3-5(8)4-9(6)7/h1-4,8H,(H3,11,12).
What are the key properties of tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboximidamide?
tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboximidamide has a molecular weight of 156.19 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboximidamide is sourced from PubChem (CID 87317193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).