1,1-diaminoprop-2-enyl(oxido)azanium

C3H9N3O — CID 141217083

IUPAC1,1-diaminoprop-2-enyl(oxido)azanium
SMILESC=CC(N)(N)[NH2+][O-]
InChIInChI=1S/C3H9N3O/c1-2-3(4,5)6-7/h2H,1,4-6H2
InChIKeyPAIJOIFNTQQMMG-UHFFFAOYSA-N
MW103.12 g/mol
LogP-2.20
Rot. Bonds2

About 1,1-diaminoprop-2-enyl(oxido)azanium

1,1-diaminoprop-2-enyl(oxido)azanium (PubChem CID 141217083) has the molecular formula C3H9N3O and a molecular weight of 103.12 g/mol. Its IUPAC name is 1,1-diaminoprop-2-enyl(oxido)azanium.

Molecular Properties

Compound Name1,1-diaminoprop-2-enyl(oxido)azanium
PubChem CID141217083
Molecular FormulaC3H9N3O
Molecular Weight103.12 g/mol
Exact Mass103.07
IUPAC Name1,1-diaminoprop-2-enyl(oxido)azanium
SMILESC=CC(N)(N)[NH2+][O-]
InChIInChI=1S/C3H9N3O/c1-2-3(4,5)6-7/h2H,1,4-6H2
InChIKeyPAIJOIFNTQQMMG-UHFFFAOYSA-N
XLogP-2.20
TPSA91.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-2.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1-disilylprop-2-en-1-amine
CID 173457267
1,1-bis(aminosilyl)prop-2-en-1-amine
CID 174060578
3,3,3-trifluoroprop-1-ene
CID 90915807
ethene;fluoroethene
CID 22242390
1-amino-1-(1-amino-1-hydroxyprop-2-enoxy)prop-2-en-1-ol
CID 88639905
2-N'-methylbut-3-ene-2,2-diamine
CID 123441192
2-amino-2-ethenylpropanedioic acid
CID 55285950
2-aminobut-3-ene-1,1,2-triol
CID 91365867
2-aminobut-3-ene-1,2-diol
CID 173361461
(1Z)-3-methylpenta-1,4-diene-1,3-diamine
CID 143213661
hex-1-ene-3,3-diamine
CID 167559937
3-aminopent-1-ene-3-thiol
CID 123736018

Frequently Asked Questions

What is the IUPAC name of 1,1-diaminoprop-2-enyl(oxido)azanium?
The IUPAC name of 1,1-diaminoprop-2-enyl(oxido)azanium (CID 141217083) is 1,1-diaminoprop-2-enyl(oxido)azanium.
What is the SMILES notation for 1,1-diaminoprop-2-enyl(oxido)azanium?
The canonical SMILES for 1,1-diaminoprop-2-enyl(oxido)azanium is C=CC(N)(N)[NH2+][O-].
What is the InChIKey of 1,1-diaminoprop-2-enyl(oxido)azanium?
The InChIKey is PAIJOIFNTQQMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O/c1-2-3(4,5)6-7/h2H,1,4-6H2.
What are the key properties of 1,1-diaminoprop-2-enyl(oxido)azanium?
1,1-diaminoprop-2-enyl(oxido)azanium has a molecular weight of 103.12 g/mol, XLogP of -2.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diaminoprop-2-enyl(oxido)azanium is sourced from PubChem (CID 141217083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).