N-pyrrolidin-3-ylidenehydroxylamine

C4H8N2O — CID 72732196

IUPACN-pyrrolidin-3-ylidenehydroxylamine
SMILESON=C1CCNC1
InChIInChI=1S/C4H8N2O/c7-6-4-1-2-5-3-4/h5,7H,1-3H2
InChIKeyHGAWACRPWVRCFI-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.19
Rot. Bonds

About N-pyrrolidin-3-ylidenehydroxylamine

N-pyrrolidin-3-ylidenehydroxylamine (PubChem CID 72732196) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is N-pyrrolidin-3-ylidenehydroxylamine.

Molecular Properties

Compound NameN-pyrrolidin-3-ylidenehydroxylamine
PubChem CID72732196
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC NameN-pyrrolidin-3-ylidenehydroxylamine
SMILESON=C1CCNC1
InChIInChI=1S/C4H8N2O/c7-6-4-1-2-5-3-4/h5,7H,1-3H2
InChIKeyHGAWACRPWVRCFI-UHFFFAOYSA-N
XLogP-0.19
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-pyrrolidin-3-ylidenehydroxylamine?
The IUPAC name of N-pyrrolidin-3-ylidenehydroxylamine (CID 72732196) is N-pyrrolidin-3-ylidenehydroxylamine.
What is the SMILES notation for N-pyrrolidin-3-ylidenehydroxylamine?
The canonical SMILES for N-pyrrolidin-3-ylidenehydroxylamine is ON=C1CCNC1.
What is the InChIKey of N-pyrrolidin-3-ylidenehydroxylamine?
The InChIKey is HGAWACRPWVRCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c7-6-4-1-2-5-3-4/h5,7H,1-3H2.
What are the key properties of N-pyrrolidin-3-ylidenehydroxylamine?
N-pyrrolidin-3-ylidenehydroxylamine has a molecular weight of 100.12 g/mol, XLogP of -0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-ylidenehydroxylamine is sourced from PubChem (CID 72732196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).