O-[(3-pyrrolidin-1-ylphenyl)methyl]hydroxylamine

C11H16N2O — CID 117283251

IUPACO-[(3-pyrrolidin-1-ylphenyl)methyl]hydroxylamine
SMILESNOCc1cccc(N2CCCC2)c1
InChIInChI=1S/C11H16N2O/c12-14-9-10-4-3-5-11(8-10)13-6-1-2-7-13/h3-5,8H,1-2,6-7,9,12H2
InChIKeyDNNKXOBZWSWOTA-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.68
Rot. Bonds3

About O-[(3-pyrrolidin-1-ylphenyl)methyl]hydroxylamine

O-[(3-pyrrolidin-1-ylphenyl)methyl]hydroxylamine (PubChem CID 117283251) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is O-[(3-pyrrolidin-1-ylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-pyrrolidin-1-ylphenyl)methyl]hydroxylamine
PubChem CID117283251
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameO-[(3-pyrrolidin-1-ylphenyl)methyl]hydroxylamine
SMILESNOCc1cccc(N2CCCC2)c1
InChIInChI=1S/C11H16N2O/c12-14-9-10-4-3-5-11(8-10)13-6-1-2-7-13/h3-5,8H,1-2,6-7,9,12H2
InChIKeyDNNKXOBZWSWOTA-UHFFFAOYSA-N
XLogP1.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(2-(Pyrrolidin-1-yl)phenyl)methanol
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O-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]hydroxylamine
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[3-(Diethylamino)phenyl]methanol
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2-Fluoro-5-(1-piperidinyl)benzenemethanol
CID 66618741
N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)aniline
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(4-Fluoro-3-piperidin-1-ylphenyl)methanol
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CID 129045919

Frequently Asked Questions

What is the IUPAC name of O-[(3-pyrrolidin-1-ylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3-pyrrolidin-1-ylphenyl)methyl]hydroxylamine (CID 117283251) is O-[(3-pyrrolidin-1-ylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-pyrrolidin-1-ylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-pyrrolidin-1-ylphenyl)methyl]hydroxylamine is NOCc1cccc(N2CCCC2)c1.
What is the InChIKey of O-[(3-pyrrolidin-1-ylphenyl)methyl]hydroxylamine?
The InChIKey is DNNKXOBZWSWOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-14-9-10-4-3-5-11(8-10)13-6-1-2-7-13/h3-5,8H,1-2,6-7,9,12H2.
What are the key properties of O-[(3-pyrrolidin-1-ylphenyl)methyl]hydroxylamine?
O-[(3-pyrrolidin-1-ylphenyl)methyl]hydroxylamine has a molecular weight of 192.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-pyrrolidin-1-ylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117283251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).