(NZ)-N-[1-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethylidene]hydroxylamine

C14H20N2O — CID 87377197

IUPAC(NZ)-N-[1-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethylidene]hydroxylamine
SMILESC/C(=N/O)[C@@H]1CCN([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C14H20N2O/c1-11(15-17)14-8-9-16(10-14)12(2)13-6-4-3-5-7-13/h3-7,12,14,17H,8-10H2,1-2H3/b15-11-/t12-,14+/m0/s1
InChIKeyIRSFMFVKIXQBBN-AWJPDWBMSA-N
MW232.33 g/mol
LogP2.92
Rot. Bonds3

About (NZ)-N-[1-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethylidene]hydroxylamine

(NZ)-N-[1-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethylidene]hydroxylamine (PubChem CID 87377197) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (NZ)-N-[1-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethylidene]hydroxylamine
PubChem CID87377197
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(NZ)-N-[1-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethylidene]hydroxylamine
SMILESC/C(=N/O)[C@@H]1CCN([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C14H20N2O/c1-11(15-17)14-8-9-16(10-14)12(2)13-6-4-3-5-7-13/h3-7,12,14,17H,8-10H2,1-2H3/b15-11-/t12-,14+/m0/s1
InChIKeyIRSFMFVKIXQBBN-AWJPDWBMSA-N
XLogP2.92
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
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 (NZ)-N-[1-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethylidene]hydroxylamine (CID 87377197) is (NZ)-N-[1-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethylidene]hydroxylamine is C/C(=N/O)[C@@H]1CCN([C@@H](C)c2ccccc2)C1.
What is the InChIKey of (NZ)-N-[1-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethylidene]hydroxylamine?
The InChIKey is IRSFMFVKIXQBBN-AWJPDWBMSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(15-17)14-8-9-16(10-14)12(2)13-6-4-3-5-7-13/h3-7,12,14,17H,8-10H2,1-2H3/b15-11-/t12-,14+/m0/s1.
What are the key properties of (NZ)-N-[1-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethylidene]hydroxylamine?
(NZ)-N-[1-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethylidene]hydroxylamine has a molecular weight of 232.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 87377197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).