2-[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)phenyl]acetohydrazide

C16H23N3O2 — CID 105351843

IUPAC2-[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CN2CCOC3CCCC32)cc1
InChIInChI=1S/C16H23N3O2/c17-18-16(20)10-12-4-6-13(7-5-12)11-19-8-9-21-15-3-1-2-14(15)19/h4-7,14-15H,1-3,8-11,17H2,(H,18,20)
InChIKeyBMFGIEOXUOZZOT-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.97
Rot. Bonds4

About 2-[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)phenyl]acetohydrazide

2-[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)phenyl]acetohydrazide (PubChem CID 105351843) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)phenyl]acetohydrazide
PubChem CID105351843
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CN2CCOC3CCCC32)cc1
InChIInChI=1S/C16H23N3O2/c17-18-16(20)10-12-4-6-13(7-5-12)11-19-8-9-21-15-3-1-2-14(15)19/h4-7,14-15H,1-3,8-11,17H2,(H,18,20)
InChIKeyBMFGIEOXUOZZOT-UHFFFAOYSA-N
XLogP0.97
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)phenyl]acetohydrazide?
The IUPAC name of 2-[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)phenyl]acetohydrazide (CID 105351843) is 2-[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)phenyl]acetohydrazide?
The canonical SMILES for 2-[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)phenyl]acetohydrazide is NNC(=O)Cc1ccc(CN2CCOC3CCCC32)cc1.
What is the InChIKey of 2-[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)phenyl]acetohydrazide?
The InChIKey is BMFGIEOXUOZZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-18-16(20)10-12-4-6-13(7-5-12)11-19-8-9-21-15-3-1-2-14(15)19/h4-7,14-15H,1-3,8-11,17H2,(H,18,20).
What are the key properties of 2-[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)phenyl]acetohydrazide?
2-[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)phenyl]acetohydrazide has a molecular weight of 289.38 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)phenyl]acetohydrazide is sourced from PubChem (CID 105351843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).