(NE)-N-(2-ethyl-2-phenylpyrrolidin-3-ylidene)hydroxylamine

C12H16N2O — CID 121009128

IUPAC(NE)-N-(2-ethyl-2-phenylpyrrolidin-3-ylidene)hydroxylamine
SMILESCCC1(c2ccccc2)NCC/C1=N\O
InChIInChI=1S/C12H16N2O/c1-2-12(10-6-4-3-5-7-10)11(14-15)8-9-13-12/h3-7,13,15H,2,8-9H2,1H3/b14-11+
InChIKeyKIQZAKCHSKJAMZ-SDNWHVSQSA-N
MW204.27 g/mol
LogP2.12
Rot. Bonds2

About (NE)-N-(2-ethyl-2-phenylpyrrolidin-3-ylidene)hydroxylamine

(NE)-N-(2-ethyl-2-phenylpyrrolidin-3-ylidene)hydroxylamine (PubChem CID 121009128) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (NE)-N-(2-ethyl-2-phenylpyrrolidin-3-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-ethyl-2-phenylpyrrolidin-3-ylidene)hydroxylamine
PubChem CID121009128
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(NE)-N-(2-ethyl-2-phenylpyrrolidin-3-ylidene)hydroxylamine
SMILESCCC1(c2ccccc2)NCC/C1=N\O
InChIInChI=1S/C12H16N2O/c1-2-12(10-6-4-3-5-7-10)11(14-15)8-9-13-12/h3-7,13,15H,2,8-9H2,1H3/b14-11+
InChIKeyKIQZAKCHSKJAMZ-SDNWHVSQSA-N
XLogP2.12
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.12
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

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2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-phenyl-N-prop-2-enylacetamide
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2-ethyl-2-phenylmorpholine
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3-benzyl-3-phenylpiperazin-2-one
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3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 3963316
3-(3-chlorophenyl)-3-ethylpiperazin-2-one
CID 62352117
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
(5S)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7179307

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2-ethyl-2-phenylpyrrolidin-3-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-ethyl-2-phenylpyrrolidin-3-ylidene)hydroxylamine (CID 121009128) is (NE)-N-(2-ethyl-2-phenylpyrrolidin-3-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-ethyl-2-phenylpyrrolidin-3-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-ethyl-2-phenylpyrrolidin-3-ylidene)hydroxylamine is CCC1(c2ccccc2)NCC/C1=N\O.
What is the InChIKey of (NE)-N-(2-ethyl-2-phenylpyrrolidin-3-ylidene)hydroxylamine?
The InChIKey is KIQZAKCHSKJAMZ-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-12(10-6-4-3-5-7-10)11(14-15)8-9-13-12/h3-7,13,15H,2,8-9H2,1H3/b14-11+.
What are the key properties of (NE)-N-(2-ethyl-2-phenylpyrrolidin-3-ylidene)hydroxylamine?
(NE)-N-(2-ethyl-2-phenylpyrrolidin-3-ylidene)hydroxylamine has a molecular weight of 204.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-ethyl-2-phenylpyrrolidin-3-ylidene)hydroxylamine is sourced from PubChem (CID 121009128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).