(NZ)-N-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]methylidene]hydroxylamine

C11H14N4O — CID 87829261

IUPAC(NZ)-N-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]methylidene]hydroxylamine
SMILESO/N=C\c1cncc(N2C[C@@H]3C[C@H]2CN3)c1
InChIInChI=1S/C11H14N4O/c16-14-4-8-1-10(5-12-3-8)15-7-9-2-11(15)6-13-9/h1,3-5,9,11,13,16H,2,6-7H2/b14-4-/t9-,11-/m0/s1
InChIKeyXMEZWSVVQPFXDJ-SOKHGFTGSA-N
MW218.26 g/mol
LogP0.44
Rot. Bonds2

About (NZ)-N-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]methylidene]hydroxylamine

(NZ)-N-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]methylidene]hydroxylamine (PubChem CID 87829261) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is (NZ)-N-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]methylidene]hydroxylamine
PubChem CID87829261
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name(NZ)-N-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]methylidene]hydroxylamine
SMILESO/N=C\c1cncc(N2C[C@@H]3C[C@H]2CN3)c1
InChIInChI=1S/C11H14N4O/c16-14-4-8-1-10(5-12-3-8)15-7-9-2-11(15)6-13-9/h1,3-5,9,11,13,16H,2,6-7H2/b14-4-/t9-,11-/m0/s1
InChIKeyXMEZWSVVQPFXDJ-SOKHGFTGSA-N
XLogP0.44
TPSA60.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]methylidene]hydroxylamine (CID 87829261) is (NZ)-N-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]methylidene]hydroxylamine is O/N=C\c1cncc(N2C[C@@H]3C[C@H]2CN3)c1.
What is the InChIKey of (NZ)-N-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]methylidene]hydroxylamine?
The InChIKey is XMEZWSVVQPFXDJ-SOKHGFTGSA-N. The full InChI is InChI=1S/C11H14N4O/c16-14-4-8-1-10(5-12-3-8)15-7-9-2-11(15)6-13-9/h1,3-5,9,11,13,16H,2,6-7H2/b14-4-/t9-,11-/m0/s1.
What are the key properties of (NZ)-N-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]methylidene]hydroxylamine?
(NZ)-N-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]methylidene]hydroxylamine has a molecular weight of 218.26 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 87829261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).