(NE)-N-pyrrolidin-3-ylidenehydroxylamine

C4H8N2O — CID 14478547

IUPAC(NE)-N-pyrrolidin-3-ylidenehydroxylamine
SMILESO/N=C1\CCNC1
InChIInChI=1S/C4H8N2O/c7-6-4-1-2-5-3-4/h5,7H,1-3H2/b6-4+
InChIKeyHGAWACRPWVRCFI-GQCTYLIASA-N
MW100.12 g/mol
LogP-0.19
Rot. Bonds

About (NE)-N-pyrrolidin-3-ylidenehydroxylamine

(NE)-N-pyrrolidin-3-ylidenehydroxylamine (PubChem CID 14478547) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is (NE)-N-pyrrolidin-3-ylidenehydroxylamine.

Molecular Properties

Compound Name(NE)-N-pyrrolidin-3-ylidenehydroxylamine
PubChem CID14478547
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name(NE)-N-pyrrolidin-3-ylidenehydroxylamine
SMILESO/N=C1\CCNC1
InChIInChI=1S/C4H8N2O/c7-6-4-1-2-5-3-4/h5,7H,1-3H2/b6-4+
InChIKeyHGAWACRPWVRCFI-GQCTYLIASA-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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Related Compounds

N-ethoxypyrrolidin-3-imine
CID 123677631
N-cyclohexylidene(15N)hydroxylamine
CID 11829399
N-cyclopent-3-en-1-ylidenehydroxylamine
CID 156766450
(NE)-N-[3-(chloromethyl)cyclopentylidene]hydroxylamine
CID 12564082
(NE)-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethylidene)hydroxylamine
CID 119083202
1,2,3,4-tetrahydroisoquinoline;hydroiodide
CID 141050859
2,3,4,5,6,7-hexahydro-1H-pyrazolo[4,3-c]pyridine
CID 69251990
bis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide
CID 173168768
sulfuric acid;bis(1,2,3,4-tetrahydroisoquinoline)
CID 175785291
piperidin-3-ylidenemethanol
CID 67608436
(NZ)-N-(1,2,3,6-tetrahydropyridin-5-ylmethylidene)hydroxylamine;hydrochloride
CID 6448567
N'-hydroxy-1,2,3,4-tetrahydroisoquinoline-5-carboximidamide
CID 87154170

Frequently Asked Questions

What is the IUPAC name of (NE)-N-pyrrolidin-3-ylidenehydroxylamine?
The IUPAC name of (NE)-N-pyrrolidin-3-ylidenehydroxylamine (CID 14478547) is (NE)-N-pyrrolidin-3-ylidenehydroxylamine.
What is the SMILES notation for (NE)-N-pyrrolidin-3-ylidenehydroxylamine?
The canonical SMILES for (NE)-N-pyrrolidin-3-ylidenehydroxylamine is O/N=C1\CCNC1.
What is the InChIKey of (NE)-N-pyrrolidin-3-ylidenehydroxylamine?
The InChIKey is HGAWACRPWVRCFI-GQCTYLIASA-N. The full InChI is InChI=1S/C4H8N2O/c7-6-4-1-2-5-3-4/h5,7H,1-3H2/b6-4+.
What are the key properties of (NE)-N-pyrrolidin-3-ylidenehydroxylamine?
(NE)-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 (NE)-N-pyrrolidin-3-ylidenehydroxylamine is sourced from PubChem (CID 14478547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).