2-aminobicyclo[3.2.1]oct-2-ene-3-carboximidoyl cyanide

C10H13N3 — CID 156721804

IUPAC2-aminobicyclo[3.2.1]oct-2-ene-3-carboximidoyl cyanide
SMILES[H]/N=C(\C#N)C1=C(N)C2CCC(C1)C2
InChIInChI=1S/C10H13N3/c11-5-9(12)8-4-6-1-2-7(3-6)10(8)13/h6-7,12H,1-4,13H2/b12-9+
InChIKeyBHMOWOANWJWCGJ-FMIVXFBMSA-N
MW175.24 g/mol
LogP1.56
Rot. Bonds1

About 2-aminobicyclo[3.2.1]oct-2-ene-3-carboximidoyl cyanide

2-aminobicyclo[3.2.1]oct-2-ene-3-carboximidoyl cyanide (PubChem CID 156721804) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 2-aminobicyclo[3.2.1]oct-2-ene-3-carboximidoyl cyanide.

Molecular Properties

Compound Name2-aminobicyclo[3.2.1]oct-2-ene-3-carboximidoyl cyanide
PubChem CID156721804
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name2-aminobicyclo[3.2.1]oct-2-ene-3-carboximidoyl cyanide
SMILES[H]/N=C(\C#N)C1=C(N)C2CCC(C1)C2
InChIInChI=1S/C10H13N3/c11-5-9(12)8-4-6-1-2-7(3-6)10(8)13/h6-7,12H,1-4,13H2/b12-9+
InChIKeyBHMOWOANWJWCGJ-FMIVXFBMSA-N
XLogP1.56
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-aminobicyclo[3.2.1]oct-2-ene-3-carboximidoyl cyanide?
The IUPAC name of 2-aminobicyclo[3.2.1]oct-2-ene-3-carboximidoyl cyanide (CID 156721804) is 2-aminobicyclo[3.2.1]oct-2-ene-3-carboximidoyl cyanide.
What is the SMILES notation for 2-aminobicyclo[3.2.1]oct-2-ene-3-carboximidoyl cyanide?
The canonical SMILES for 2-aminobicyclo[3.2.1]oct-2-ene-3-carboximidoyl cyanide is [H]/N=C(\C#N)C1=C(N)C2CCC(C1)C2.
What is the InChIKey of 2-aminobicyclo[3.2.1]oct-2-ene-3-carboximidoyl cyanide?
The InChIKey is BHMOWOANWJWCGJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H13N3/c11-5-9(12)8-4-6-1-2-7(3-6)10(8)13/h6-7,12H,1-4,13H2/b12-9+.
What are the key properties of 2-aminobicyclo[3.2.1]oct-2-ene-3-carboximidoyl cyanide?
2-aminobicyclo[3.2.1]oct-2-ene-3-carboximidoyl cyanide has a molecular weight of 175.24 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobicyclo[3.2.1]oct-2-ene-3-carboximidoyl cyanide is sourced from PubChem (CID 156721804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).