(NE)-N-[[(1R,5S)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methylidene]hydroxylamine

C12H15N3O — CID 153307026

IUPAC(NE)-N-[[(1R,5S)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methylidene]hydroxylamine
SMILESCc1ccc(N2C[C@@H]3C(/C=N/O)[C@@H]3C2)nc1
InChIInChI=1S/C12H15N3O/c1-8-2-3-12(13-4-8)15-6-10-9(5-14-16)11(10)7-15/h2-5,9-11,16H,6-7H2,1H3/b14-5+/t9?,10-,11+
InChIKeyFDDFIHIJJMLTEE-OXOOMEOBSA-N
MW217.27 g/mol
LogP1.53
Rot. Bonds2

About (NE)-N-[[(1R,5S)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methylidene]hydroxylamine

(NE)-N-[[(1R,5S)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methylidene]hydroxylamine (PubChem CID 153307026) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (NE)-N-[[(1R,5S)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[(1R,5S)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methylidene]hydroxylamine
PubChem CID153307026
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(NE)-N-[[(1R,5S)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methylidene]hydroxylamine
SMILESCc1ccc(N2C[C@@H]3C(/C=N/O)[C@@H]3C2)nc1
InChIInChI=1S/C12H15N3O/c1-8-2-3-12(13-4-8)15-6-10-9(5-14-16)11(10)7-15/h2-5,9-11,16H,6-7H2,1H3/b14-5+/t9?,10-,11+
InChIKeyFDDFIHIJJMLTEE-OXOOMEOBSA-N
XLogP1.53
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze (NE)-N-[[(1R,5S)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methylidene]hydroxylamine with MolForge

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Related Compounds

(2R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)morpholine
CID 143577570
(1S,5R)-3-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane
CID 59535791
4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 66280580
1-[(2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one;ethane
CID 144929853
2-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681880
5-methyl-2-[3-[(1-methylazetidin-3-yl)methyl]azetidin-1-yl]pyridine
CID 171070051
(3aR,4R,7aS)-4-ethyl-2-(5-methyl-2-pyridinyl)-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol
CID 135115273
ethane;methyl (2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 144929756
(3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine
CID 94450647
CID 59766715
CID 59766715
butane;5-methyl-2-piperidin-1-ylpyridine
CID 170641231
N-methyl-1-(5-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 59535689

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[(1R,5S)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[(1R,5S)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methylidene]hydroxylamine (CID 153307026) is (NE)-N-[[(1R,5S)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[(1R,5S)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[(1R,5S)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methylidene]hydroxylamine is Cc1ccc(N2C[C@@H]3C(/C=N/O)[C@@H]3C2)nc1.
What is the InChIKey of (NE)-N-[[(1R,5S)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methylidene]hydroxylamine?
The InChIKey is FDDFIHIJJMLTEE-OXOOMEOBSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-2-3-12(13-4-8)15-6-10-9(5-14-16)11(10)7-15/h2-5,9-11,16H,6-7H2,1H3/b14-5+/t9?,10-,11+.
What are the key properties of (NE)-N-[[(1R,5S)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methylidene]hydroxylamine?
(NE)-N-[[(1R,5S)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methylidene]hydroxylamine has a molecular weight of 217.27 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[(1R,5S)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methylidene]hydroxylamine is sourced from PubChem (CID 153307026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).