N-pyrrolidin-3-ylidenehydroxylamine;hydrochloride

C4H9ClN2O — CID 86742432

IUPACN-pyrrolidin-3-ylidenehydroxylamine;hydrochloride
SMILESCl.ON=C1CCNC1
InChIInChI=1S/C4H8N2O.ClH/c7-6-4-1-2-5-3-4;/h5,7H,1-3H2;1H
InChIKeyJCVRBKCQZNJMFL-UHFFFAOYSA-N
MW136.58 g/mol
LogP0.23
Rot. Bonds

About N-pyrrolidin-3-ylidenehydroxylamine;hydrochloride

N-pyrrolidin-3-ylidenehydroxylamine;hydrochloride (PubChem CID 86742432) has the molecular formula C4H9ClN2O and a molecular weight of 136.58 g/mol. Its IUPAC name is N-pyrrolidin-3-ylidenehydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-pyrrolidin-3-ylidenehydroxylamine;hydrochloride
PubChem CID86742432
Molecular FormulaC4H9ClN2O
Molecular Weight136.58 g/mol
Exact Mass136.04
IUPAC NameN-pyrrolidin-3-ylidenehydroxylamine;hydrochloride
SMILESCl.ON=C1CCNC1
InChIInChI=1S/C4H8N2O.ClH/c7-6-4-1-2-5-3-4;/h5,7H,1-3H2;1H
InChIKeyJCVRBKCQZNJMFL-UHFFFAOYSA-N
XLogP0.23
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.58
LogP ≤ 50.23
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;hydrochloride?
The IUPAC name of N-pyrrolidin-3-ylidenehydroxylamine;hydrochloride (CID 86742432) is N-pyrrolidin-3-ylidenehydroxylamine;hydrochloride.
What is the SMILES notation for N-pyrrolidin-3-ylidenehydroxylamine;hydrochloride?
The canonical SMILES for N-pyrrolidin-3-ylidenehydroxylamine;hydrochloride is Cl.ON=C1CCNC1.
What is the InChIKey of N-pyrrolidin-3-ylidenehydroxylamine;hydrochloride?
The InChIKey is JCVRBKCQZNJMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O.ClH/c7-6-4-1-2-5-3-4;/h5,7H,1-3H2;1H.
What are the key properties of N-pyrrolidin-3-ylidenehydroxylamine;hydrochloride?
N-pyrrolidin-3-ylidenehydroxylamine;hydrochloride has a molecular weight of 136.58 g/mol, XLogP of 0.23, 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;hydrochloride is sourced from PubChem (CID 86742432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).