3-amino-2-methanimidoylcyclohex-2-en-1-ol

C7H12N2O — CID 143567997

IUPAC3-amino-2-methanimidoylcyclohex-2-en-1-ol
SMILES[H]/N=C/C1=C(N)CCCC1O
InChIInChI=1S/C7H12N2O/c8-4-5-6(9)2-1-3-7(5)10/h4,7-8,10H,1-3,9H2/b8-4+
InChIKeyLASVLXOKIXFDAK-XBXARRHUSA-N
MW140.19 g/mol
LogP0.39
Rot. Bonds1

About 3-amino-2-methanimidoylcyclohex-2-en-1-ol

3-amino-2-methanimidoylcyclohex-2-en-1-ol (PubChem CID 143567997) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-amino-2-methanimidoylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-amino-2-methanimidoylcyclohex-2-en-1-ol
PubChem CID143567997
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-amino-2-methanimidoylcyclohex-2-en-1-ol
SMILES[H]/N=C/C1=C(N)CCCC1O
InChIInChI=1S/C7H12N2O/c8-4-5-6(9)2-1-3-7(5)10/h4,7-8,10H,1-3,9H2/b8-4+
InChIKeyLASVLXOKIXFDAK-XBXARRHUSA-N
XLogP0.39
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.39
H-Bond Donors ≤ 53
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-amino-2-methanimidoylcyclohex-2-en-1-ol?
The IUPAC name of 3-amino-2-methanimidoylcyclohex-2-en-1-ol (CID 143567997) is 3-amino-2-methanimidoylcyclohex-2-en-1-ol.
What is the SMILES notation for 3-amino-2-methanimidoylcyclohex-2-en-1-ol?
The canonical SMILES for 3-amino-2-methanimidoylcyclohex-2-en-1-ol is [H]/N=C/C1=C(N)CCCC1O.
What is the InChIKey of 3-amino-2-methanimidoylcyclohex-2-en-1-ol?
The InChIKey is LASVLXOKIXFDAK-XBXARRHUSA-N. The full InChI is InChI=1S/C7H12N2O/c8-4-5-6(9)2-1-3-7(5)10/h4,7-8,10H,1-3,9H2/b8-4+.
What are the key properties of 3-amino-2-methanimidoylcyclohex-2-en-1-ol?
3-amino-2-methanimidoylcyclohex-2-en-1-ol has a molecular weight of 140.19 g/mol, XLogP of 0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methanimidoylcyclohex-2-en-1-ol is sourced from PubChem (CID 143567997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).