N-oxidopropan-2-amine

C3H8NO- — CID 15775580

IUPACN-oxidopropan-2-amine
SMILESCC(C)N[O-]
InChIInChI=1S/C3H8NO/c1-3(2)4-5/h3-4H,1-2H3/q-1
InChIKeyYCZBMFGTPGOENS-UHFFFAOYSA-N
MW74.10 g/mol
LogP0.48
Rot. Bonds1

About N-oxidopropan-2-amine

N-oxidopropan-2-amine (PubChem CID 15775580) has the molecular formula C3H8NO- and a molecular weight of 74.10 g/mol. Its IUPAC name is N-oxidopropan-2-amine.

Molecular Properties

Compound NameN-oxidopropan-2-amine
PubChem CID15775580
Molecular FormulaC3H8NO-
Molecular Weight74.10 g/mol
Exact Mass74.06
IUPAC NameN-oxidopropan-2-amine
SMILESCC(C)N[O-]
InChIInChI=1S/C3H8NO/c1-3(2)4-5/h3-4H,1-2H3/q-1
InChIKeyYCZBMFGTPGOENS-UHFFFAOYSA-N
XLogP0.48
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.10
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-oxidopropan-2-amine?
The IUPAC name of N-oxidopropan-2-amine (CID 15775580) is N-oxidopropan-2-amine.
What is the SMILES notation for N-oxidopropan-2-amine?
The canonical SMILES for N-oxidopropan-2-amine is CC(C)N[O-].
What is the InChIKey of N-oxidopropan-2-amine?
The InChIKey is YCZBMFGTPGOENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO/c1-3(2)4-5/h3-4H,1-2H3/q-1.
What are the key properties of N-oxidopropan-2-amine?
N-oxidopropan-2-amine has a molecular weight of 74.10 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxidopropan-2-amine is sourced from PubChem (CID 15775580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).