N-prop-2-enylhydroxylamine;hydrate

C3H9NO2 — CID 173055199

IUPACN-prop-2-enylhydroxylamine;hydrate
SMILESC=CCNO.O
InChIInChI=1S/C3H7NO.H2O/c1-2-3-4-5;/h2,4-5H,1,3H2;1H2
InChIKeyYVBAJKVEDAXUNO-UHFFFAOYSA-N
MW91.11 g/mol
LogP-0.67
Rot. Bonds2

About N-prop-2-enylhydroxylamine;hydrate

N-prop-2-enylhydroxylamine;hydrate (PubChem CID 173055199) has the molecular formula C3H9NO2 and a molecular weight of 91.11 g/mol. Its IUPAC name is N-prop-2-enylhydroxylamine;hydrate.

Molecular Properties

Compound NameN-prop-2-enylhydroxylamine;hydrate
PubChem CID173055199
Molecular FormulaC3H9NO2
Molecular Weight91.11 g/mol
Exact Mass91.06
IUPAC NameN-prop-2-enylhydroxylamine;hydrate
SMILESC=CCNO.O
InChIInChI=1S/C3H7NO.H2O/c1-2-3-4-5;/h2,4-5H,1,3H2;1H2
InChIKeyYVBAJKVEDAXUNO-UHFFFAOYSA-N
XLogP-0.67
TPSA63.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.11
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylhydroxylamine;hydrate?
The IUPAC name of N-prop-2-enylhydroxylamine;hydrate (CID 173055199) is N-prop-2-enylhydroxylamine;hydrate.
What is the SMILES notation for N-prop-2-enylhydroxylamine;hydrate?
The canonical SMILES for N-prop-2-enylhydroxylamine;hydrate is C=CCNO.O.
What is the InChIKey of N-prop-2-enylhydroxylamine;hydrate?
The InChIKey is YVBAJKVEDAXUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.H2O/c1-2-3-4-5;/h2,4-5H,1,3H2;1H2.
What are the key properties of N-prop-2-enylhydroxylamine;hydrate?
N-prop-2-enylhydroxylamine;hydrate has a molecular weight of 91.11 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylhydroxylamine;hydrate is sourced from PubChem (CID 173055199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).