[(Z)-3-amino-1-cyclopropyl-3-iminoprop-1-enyl]oxidanium

C6H11N2O+ — CID 177318048

IUPAC[(Z)-3-amino-1-cyclopropyl-3-iminoprop-1-enyl]oxidanium
SMILES[H]/N=C(N)/C=C(\[OH2+])C1CC1
InChIInChI=1S/C6H10N2O/c7-6(8)3-5(9)4-1-2-4/h3-4,9H,1-2H2,(H3,7,8)/p+1/b5-3-
InChIKeyZQFJASFGAHHTMI-HYXAFXHYSA-O
MW127.17 g/mol
LogP-0.06
Rot. Bonds2

About [(Z)-3-amino-1-cyclopropyl-3-iminoprop-1-enyl]oxidanium

[(Z)-3-amino-1-cyclopropyl-3-iminoprop-1-enyl]oxidanium (PubChem CID 177318048) has the molecular formula C6H11N2O+ and a molecular weight of 127.17 g/mol. Its IUPAC name is [(Z)-3-amino-1-cyclopropyl-3-iminoprop-1-enyl]oxidanium.

Molecular Properties

Compound Name[(Z)-3-amino-1-cyclopropyl-3-iminoprop-1-enyl]oxidanium
PubChem CID177318048
Molecular FormulaC6H11N2O+
Molecular Weight127.17 g/mol
Exact Mass127.09
IUPAC Name[(Z)-3-amino-1-cyclopropyl-3-iminoprop-1-enyl]oxidanium
SMILES[H]/N=C(N)/C=C(\[OH2+])C1CC1
InChIInChI=1S/C6H10N2O/c7-6(8)3-5(9)4-1-2-4/h3-4,9H,1-2H2,(H3,7,8)/p+1/b5-3-
InChIKeyZQFJASFGAHHTMI-HYXAFXHYSA-O
XLogP-0.06
TPSA72.77 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'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 [(Z)-3-amino-1-cyclopropyl-3-iminoprop-1-enyl]oxidanium?
The IUPAC name of [(Z)-3-amino-1-cyclopropyl-3-iminoprop-1-enyl]oxidanium (CID 177318048) is [(Z)-3-amino-1-cyclopropyl-3-iminoprop-1-enyl]oxidanium.
What is the SMILES notation for [(Z)-3-amino-1-cyclopropyl-3-iminoprop-1-enyl]oxidanium?
The canonical SMILES for [(Z)-3-amino-1-cyclopropyl-3-iminoprop-1-enyl]oxidanium is [H]/N=C(N)/C=C(\[OH2+])C1CC1.
What is the InChIKey of [(Z)-3-amino-1-cyclopropyl-3-iminoprop-1-enyl]oxidanium?
The InChIKey is ZQFJASFGAHHTMI-HYXAFXHYSA-O. The full InChI is InChI=1S/C6H10N2O/c7-6(8)3-5(9)4-1-2-4/h3-4,9H,1-2H2,(H3,7,8)/p+1/b5-3-.
What are the key properties of [(Z)-3-amino-1-cyclopropyl-3-iminoprop-1-enyl]oxidanium?
[(Z)-3-amino-1-cyclopropyl-3-iminoprop-1-enyl]oxidanium has a molecular weight of 127.17 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-amino-1-cyclopropyl-3-iminoprop-1-enyl]oxidanium is sourced from PubChem (CID 177318048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).