(NE)-N-[phenyl(pyrrolidin-1-yl)methylidene]hydroxylamine

C11H14N2O — CID 15190945

IUPAC(NE)-N-[phenyl(pyrrolidin-1-yl)methylidene]hydroxylamine
SMILESO/N=C(\c1ccccc1)N1CCCC1
InChIInChI=1S/C11H14N2O/c14-12-11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-3,6-7,14H,4-5,8-9H2/b12-11+
InChIKeyXNWTYKOIWYPTBM-VAWYXSNFSA-N
MW190.25 g/mol
LogP1.92
Rot. Bonds1

About (NE)-N-[phenyl(pyrrolidin-1-yl)methylidene]hydroxylamine

(NE)-N-[phenyl(pyrrolidin-1-yl)methylidene]hydroxylamine (PubChem CID 15190945) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (NE)-N-[phenyl(pyrrolidin-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[phenyl(pyrrolidin-1-yl)methylidene]hydroxylamine
PubChem CID15190945
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(NE)-N-[phenyl(pyrrolidin-1-yl)methylidene]hydroxylamine
SMILESO/N=C(\c1ccccc1)N1CCCC1
InChIInChI=1S/C11H14N2O/c14-12-11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-3,6-7,14H,4-5,8-9H2/b12-11+
InChIKeyXNWTYKOIWYPTBM-VAWYXSNFSA-N
XLogP1.92
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[phenyl(pyrrolidin-1-yl)methylidene]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

N-benzyl-1-phenyl-1-pyrrolidin-1-ylmethanimine
CID 102375712
phenyl(pyrrolidin-1-yl)methaneselone
CID 11149100
(NE)-4-fluoro-N-[phenyl(pyrrolidin-1-yl)methylidene]benzenesulfonamide
CID 6359531
1-phenyl-2-pyrrolidin-1-yl-2-sulfanylideneethanone
CID 102205481
2-phenyl-2-(15N)pyrrolidin-1-ylethenimine
CID 10797852
N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide
CID 4704459
(NZ)-N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide
CID 6195817
N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine
CID 3049227
CID 100924956
CID 100924956
dipyridin-2-ylmethanone;N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine;pyrrolidine-1-carbodithioic acid
CID 160789565
(E)-3-phenyl-3-pyrrolidin-1-ylprop-2-enenitrile
CID 10655579
phenyl(piperidin-1-yl)methanone;sulfuryl dichloride
CID 174601511

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[phenyl(pyrrolidin-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[phenyl(pyrrolidin-1-yl)methylidene]hydroxylamine (CID 15190945) is (NE)-N-[phenyl(pyrrolidin-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[phenyl(pyrrolidin-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[phenyl(pyrrolidin-1-yl)methylidene]hydroxylamine is O/N=C(\c1ccccc1)N1CCCC1.
What is the InChIKey of (NE)-N-[phenyl(pyrrolidin-1-yl)methylidene]hydroxylamine?
The InChIKey is XNWTYKOIWYPTBM-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H14N2O/c14-12-11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-3,6-7,14H,4-5,8-9H2/b12-11+.
What are the key properties of (NE)-N-[phenyl(pyrrolidin-1-yl)methylidene]hydroxylamine?
(NE)-N-[phenyl(pyrrolidin-1-yl)methylidene]hydroxylamine has a molecular weight of 190.25 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[phenyl(pyrrolidin-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 15190945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).