(NZ)-N-(1-benzylpyrrolidin-1-ium-3-ylidene)hydroxylamine

C11H15N2O+ — CID 7290410

IUPAC(NZ)-N-(1-benzylpyrrolidin-1-ium-3-ylidene)hydroxylamine
SMILESO/N=C1/CC[NH+](Cc2ccccc2)C1
InChIInChI=1S/C11H14N2O/c14-12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,14H,6-9H2/p+1/b12-11-
InChIKeyLFNQMUOLIMKYBH-QXMHVHEDSA-O
MW191.25 g/mol
LogP0.31
Rot. Bonds2

About (NZ)-N-(1-benzylpyrrolidin-1-ium-3-ylidene)hydroxylamine

(NZ)-N-(1-benzylpyrrolidin-1-ium-3-ylidene)hydroxylamine (PubChem CID 7290410) has the molecular formula C11H15N2O+ and a molecular weight of 191.25 g/mol. Its IUPAC name is (NZ)-N-(1-benzylpyrrolidin-1-ium-3-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(1-benzylpyrrolidin-1-ium-3-ylidene)hydroxylamine
PubChem CID7290410
Molecular FormulaC11H15N2O+
Molecular Weight191.25 g/mol
Exact Mass191.12
IUPAC Name(NZ)-N-(1-benzylpyrrolidin-1-ium-3-ylidene)hydroxylamine
SMILESO/N=C1/CC[NH+](Cc2ccccc2)C1
InChIInChI=1S/C11H14N2O/c14-12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,14H,6-9H2/p+1/b12-11-
InChIKeyLFNQMUOLIMKYBH-QXMHVHEDSA-O
XLogP0.31
TPSA37.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze (NZ)-N-(1-benzylpyrrolidin-1-ium-3-ylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]carbamate
CID 6949920
[(1-benzylpiperidin-1-ium-4-ylidene)amino] 4-chlorobenzoate
CID 6939197
[(1-benzylpiperidin-1-ium-4-ylidene)amino] 4-bromobenzoate
CID 7393200
1-benzyl-1,4-diazepane-1,4-diium
CID 6930998
1-benzylazetidin-1-ium-3-ol chloride
CID 11458298
N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-4-(phenoxymethyl)benzamide
CID 8518183
2-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)acetate
CID 28942172
6-benzyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-4-olate
CID 27556873
1-benzyl-4-(2-piperidin-1-ium-1-ylethyl)piperazine-1,4-diium
CID 7436888
N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(4-tert-butylphenoxy)acetamide
CID 7800597
N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(4-cyanophenoxy)acetamide
CID 9316593
3-(4-benzylpiperazine-1,4-diium-1-yl)propanoic acid dichloride
CID 44661832

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(1-benzylpyrrolidin-1-ium-3-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(1-benzylpyrrolidin-1-ium-3-ylidene)hydroxylamine (CID 7290410) is (NZ)-N-(1-benzylpyrrolidin-1-ium-3-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(1-benzylpyrrolidin-1-ium-3-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(1-benzylpyrrolidin-1-ium-3-ylidene)hydroxylamine is O/N=C1/CC[NH+](Cc2ccccc2)C1.
What is the InChIKey of (NZ)-N-(1-benzylpyrrolidin-1-ium-3-ylidene)hydroxylamine?
The InChIKey is LFNQMUOLIMKYBH-QXMHVHEDSA-O. The full InChI is InChI=1S/C11H14N2O/c14-12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,14H,6-9H2/p+1/b12-11-.
What are the key properties of (NZ)-N-(1-benzylpyrrolidin-1-ium-3-ylidene)hydroxylamine?
(NZ)-N-(1-benzylpyrrolidin-1-ium-3-ylidene)hydroxylamine has a molecular weight of 191.25 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1-benzylpyrrolidin-1-ium-3-ylidene)hydroxylamine is sourced from PubChem (CID 7290410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).