(E)-1-amino-3-iminoprop-1-en-2-ol

C3H6N2O — CID 142284335

IUPAC(E)-1-amino-3-iminoprop-1-en-2-ol
SMILES[H]/N=C/C(O)=C\N
InChIInChI=1S/C3H6N2O/c4-1-3(6)2-5/h1-2,4,6H,5H2/b3-2+,4-1+
InChIKeyPWGSNMQGMQQYIR-DXLKSGPOSA-N
MW86.09 g/mol
LogP-0.01
Rot. Bonds1

About (E)-1-amino-3-iminoprop-1-en-2-ol

(E)-1-amino-3-iminoprop-1-en-2-ol (PubChem CID 142284335) has the molecular formula C3H6N2O and a molecular weight of 86.09 g/mol. Its IUPAC name is (E)-1-amino-3-iminoprop-1-en-2-ol.

Molecular Properties

Compound Name(E)-1-amino-3-iminoprop-1-en-2-ol
PubChem CID142284335
Molecular FormulaC3H6N2O
Molecular Weight86.09 g/mol
Exact Mass86.05
IUPAC Name(E)-1-amino-3-iminoprop-1-en-2-ol
SMILES[H]/N=C/C(O)=C\N
InChIInChI=1S/C3H6N2O/c4-1-3(6)2-5/h1-2,4,6H,5H2/b3-2+,4-1+
InChIKeyPWGSNMQGMQQYIR-DXLKSGPOSA-N
XLogP-0.01
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-amino-3-iminoprop-1-en-2-ol?
The IUPAC name of (E)-1-amino-3-iminoprop-1-en-2-ol (CID 142284335) is (E)-1-amino-3-iminoprop-1-en-2-ol.
What is the SMILES notation for (E)-1-amino-3-iminoprop-1-en-2-ol?
The canonical SMILES for (E)-1-amino-3-iminoprop-1-en-2-ol is [H]/N=C/C(O)=C\N.
What is the InChIKey of (E)-1-amino-3-iminoprop-1-en-2-ol?
The InChIKey is PWGSNMQGMQQYIR-DXLKSGPOSA-N. The full InChI is InChI=1S/C3H6N2O/c4-1-3(6)2-5/h1-2,4,6H,5H2/b3-2+,4-1+.
What are the key properties of (E)-1-amino-3-iminoprop-1-en-2-ol?
(E)-1-amino-3-iminoprop-1-en-2-ol has a molecular weight of 86.09 g/mol, XLogP of -0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-amino-3-iminoprop-1-en-2-ol is sourced from PubChem (CID 142284335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).