3-[(1S,2E)-2-hydroxyimino-1-phenylcyclohexyl]propanehydrazide

C15H21N3O2 — CID 92524479

IUPAC3-[(1S,2E)-2-hydroxyimino-1-phenylcyclohexyl]propanehydrazide
SMILESNNC(=O)CC[C@]1(c2ccccc2)CCCC/C1=N\O
InChIInChI=1S/C15H21N3O2/c16-17-14(19)9-11-15(12-6-2-1-3-7-12)10-5-4-8-13(15)18-20/h1-3,6-7,20H,4-5,8-11,16H2,(H,17,19)/b18-13+/t15-/m0/s1
InChIKeyXTPCRRRGXRLDAN-VUODPORTSA-N
MW275.35 g/mol
LogP2.10
Rot. Bonds4

About 3-[(1S,2E)-2-hydroxyimino-1-phenylcyclohexyl]propanehydrazide

3-[(1S,2E)-2-hydroxyimino-1-phenylcyclohexyl]propanehydrazide (PubChem CID 92524479) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[(1S,2E)-2-hydroxyimino-1-phenylcyclohexyl]propanehydrazide.

Molecular Properties

Compound Name3-[(1S,2E)-2-hydroxyimino-1-phenylcyclohexyl]propanehydrazide
PubChem CID92524479
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[(1S,2E)-2-hydroxyimino-1-phenylcyclohexyl]propanehydrazide
SMILESNNC(=O)CC[C@]1(c2ccccc2)CCCC/C1=N\O
InChIInChI=1S/C15H21N3O2/c16-17-14(19)9-11-15(12-6-2-1-3-7-12)10-5-4-8-13(15)18-20/h1-3,6-7,20H,4-5,8-11,16H2,(H,17,19)/b18-13+/t15-/m0/s1
InChIKeyXTPCRRRGXRLDAN-VUODPORTSA-N
XLogP2.10
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 3-[(1S,2E)-2-hydroxyimino-1-phenylcyclohexyl]propanehydrazide?
The IUPAC name of 3-[(1S,2E)-2-hydroxyimino-1-phenylcyclohexyl]propanehydrazide (CID 92524479) is 3-[(1S,2E)-2-hydroxyimino-1-phenylcyclohexyl]propanehydrazide.
What is the SMILES notation for 3-[(1S,2E)-2-hydroxyimino-1-phenylcyclohexyl]propanehydrazide?
The canonical SMILES for 3-[(1S,2E)-2-hydroxyimino-1-phenylcyclohexyl]propanehydrazide is NNC(=O)CC[C@]1(c2ccccc2)CCCC/C1=N\O.
What is the InChIKey of 3-[(1S,2E)-2-hydroxyimino-1-phenylcyclohexyl]propanehydrazide?
The InChIKey is XTPCRRRGXRLDAN-VUODPORTSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-17-14(19)9-11-15(12-6-2-1-3-7-12)10-5-4-8-13(15)18-20/h1-3,6-7,20H,4-5,8-11,16H2,(H,17,19)/b18-13+/t15-/m0/s1.
What are the key properties of 3-[(1S,2E)-2-hydroxyimino-1-phenylcyclohexyl]propanehydrazide?
3-[(1S,2E)-2-hydroxyimino-1-phenylcyclohexyl]propanehydrazide has a molecular weight of 275.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2E)-2-hydroxyimino-1-phenylcyclohexyl]propanehydrazide is sourced from PubChem (CID 92524479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).