(NE)-N-[(2S)-2-pyridin-2-ylcyclopentylidene]hydroxylamine

C10H12N2O — CID 7447533

IUPAC(NE)-N-[(2S)-2-pyridin-2-ylcyclopentylidene]hydroxylamine
SMILESO/N=C1\CCC[C@H]1c1ccccn1
InChIInChI=1S/C10H12N2O/c13-12-10-6-3-4-8(10)9-5-1-2-7-11-9/h1-2,5,7-8,13H,3-4,6H2/b12-10+/t8-/m0/s1
InChIKeyYIBHBZRESNEYMH-HWFBOZJMSA-N
MW176.22 g/mol
LogP2.18
Rot. Bonds1

About (NE)-N-[(2S)-2-pyridin-2-ylcyclopentylidene]hydroxylamine

(NE)-N-[(2S)-2-pyridin-2-ylcyclopentylidene]hydroxylamine (PubChem CID 7447533) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (NE)-N-[(2S)-2-pyridin-2-ylcyclopentylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2S)-2-pyridin-2-ylcyclopentylidene]hydroxylamine
PubChem CID7447533
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(NE)-N-[(2S)-2-pyridin-2-ylcyclopentylidene]hydroxylamine
SMILESO/N=C1\CCC[C@H]1c1ccccn1
InChIInChI=1S/C10H12N2O/c13-12-10-6-3-4-8(10)9-5-1-2-7-11-9/h1-2,5,7-8,13H,3-4,6H2/b12-10+/t8-/m0/s1
InChIKeyYIBHBZRESNEYMH-HWFBOZJMSA-N
XLogP2.18
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.18
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 (NE)-N-[(2S)-2-pyridin-2-ylcyclopentylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2S)-2-pyridin-2-ylcyclopentylidene]hydroxylamine (CID 7447533) is (NE)-N-[(2S)-2-pyridin-2-ylcyclopentylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2S)-2-pyridin-2-ylcyclopentylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2S)-2-pyridin-2-ylcyclopentylidene]hydroxylamine is O/N=C1\CCC[C@H]1c1ccccn1.
What is the InChIKey of (NE)-N-[(2S)-2-pyridin-2-ylcyclopentylidene]hydroxylamine?
The InChIKey is YIBHBZRESNEYMH-HWFBOZJMSA-N. The full InChI is InChI=1S/C10H12N2O/c13-12-10-6-3-4-8(10)9-5-1-2-7-11-9/h1-2,5,7-8,13H,3-4,6H2/b12-10+/t8-/m0/s1.
What are the key properties of (NE)-N-[(2S)-2-pyridin-2-ylcyclopentylidene]hydroxylamine?
(NE)-N-[(2S)-2-pyridin-2-ylcyclopentylidene]hydroxylamine has a molecular weight of 176.22 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2S)-2-pyridin-2-ylcyclopentylidene]hydroxylamine is sourced from PubChem (CID 7447533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).