3-nitrosocyclohex-2-en-1-imine

C6H8N2O — CID 163801161

IUPAC3-nitrosocyclohex-2-en-1-imine
SMILES[H]/N=C1/C=C(N=O)CCC1
InChIInChI=1S/C6H8N2O/c7-5-2-1-3-6(4-5)8-9/h4,7H,1-3H2/b7-5+
InChIKeyNFCAKYQROLVILJ-FNORWQNLSA-N
MW124.14 g/mol
LogP1.84
Rot. Bonds1

About 3-nitrosocyclohex-2-en-1-imine

3-nitrosocyclohex-2-en-1-imine (PubChem CID 163801161) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 3-nitrosocyclohex-2-en-1-imine.

Molecular Properties

Compound Name3-nitrosocyclohex-2-en-1-imine
PubChem CID163801161
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name3-nitrosocyclohex-2-en-1-imine
SMILES[H]/N=C1/C=C(N=O)CCC1
InChIInChI=1S/C6H8N2O/c7-5-2-1-3-6(4-5)8-9/h4,7H,1-3H2/b7-5+
InChIKeyNFCAKYQROLVILJ-FNORWQNLSA-N
XLogP1.84
TPSA53.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.84
H-Bond Donors ≤ 51
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 3-nitrosocyclohex-2-en-1-imine?
The IUPAC name of 3-nitrosocyclohex-2-en-1-imine (CID 163801161) is 3-nitrosocyclohex-2-en-1-imine.
What is the SMILES notation for 3-nitrosocyclohex-2-en-1-imine?
The canonical SMILES for 3-nitrosocyclohex-2-en-1-imine is [H]/N=C1/C=C(N=O)CCC1.
What is the InChIKey of 3-nitrosocyclohex-2-en-1-imine?
The InChIKey is NFCAKYQROLVILJ-FNORWQNLSA-N. The full InChI is InChI=1S/C6H8N2O/c7-5-2-1-3-6(4-5)8-9/h4,7H,1-3H2/b7-5+.
What are the key properties of 3-nitrosocyclohex-2-en-1-imine?
3-nitrosocyclohex-2-en-1-imine has a molecular weight of 124.14 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitrosocyclohex-2-en-1-imine is sourced from PubChem (CID 163801161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).