(2S)-N'-acetylspiro[2.3]hexane-2-carbohydrazide

C9H14N2O2 — CID 840558

IUPAC(2S)-N'-acetylspiro[2.3]hexane-2-carbohydrazide
SMILESCC(=O)NNC(=O)[C@H]1CC12CCC2
InChIInChI=1S/C9H14N2O2/c1-6(12)10-11-8(13)7-5-9(7)3-2-4-9/h7H,2-5H2,1H3,(H,10,12)(H,11,13)/t7-/m1/s1
InChIKeyLLDUOAHPARNRBD-SSDOTTSWSA-N
MW182.22 g/mol
LogP0.34
Rot. Bonds1

About (2S)-N'-acetylspiro[2.3]hexane-2-carbohydrazide

(2S)-N'-acetylspiro[2.3]hexane-2-carbohydrazide (PubChem CID 840558) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2S)-N'-acetylspiro[2.3]hexane-2-carbohydrazide.

Molecular Properties

Compound Name(2S)-N'-acetylspiro[2.3]hexane-2-carbohydrazide
PubChem CID840558
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(2S)-N'-acetylspiro[2.3]hexane-2-carbohydrazide
SMILESCC(=O)NNC(=O)[C@H]1CC12CCC2
InChIInChI=1S/C9H14N2O2/c1-6(12)10-11-8(13)7-5-9(7)3-2-4-9/h7H,2-5H2,1H3,(H,10,12)(H,11,13)/t7-/m1/s1
InChIKeyLLDUOAHPARNRBD-SSDOTTSWSA-N
XLogP0.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N'-acetylspiro[2.3]hexane-2-carbohydrazide?
The IUPAC name of (2S)-N'-acetylspiro[2.3]hexane-2-carbohydrazide (CID 840558) is (2S)-N'-acetylspiro[2.3]hexane-2-carbohydrazide.
What is the SMILES notation for (2S)-N'-acetylspiro[2.3]hexane-2-carbohydrazide?
The canonical SMILES for (2S)-N'-acetylspiro[2.3]hexane-2-carbohydrazide is CC(=O)NNC(=O)[C@H]1CC12CCC2.
What is the InChIKey of (2S)-N'-acetylspiro[2.3]hexane-2-carbohydrazide?
The InChIKey is LLDUOAHPARNRBD-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(12)10-11-8(13)7-5-9(7)3-2-4-9/h7H,2-5H2,1H3,(H,10,12)(H,11,13)/t7-/m1/s1.
What are the key properties of (2S)-N'-acetylspiro[2.3]hexane-2-carbohydrazide?
(2S)-N'-acetylspiro[2.3]hexane-2-carbohydrazide has a molecular weight of 182.22 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-acetylspiro[2.3]hexane-2-carbohydrazide is sourced from PubChem (CID 840558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).