[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(phenyl)methyl]hydrazine

C14H21N3O — CID 105244973

IUPAC[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(phenyl)methyl]hydrazine
SMILESNNC(c1ccccc1)C1CN2CCCC2CO1
InChIInChI=1S/C14H21N3O/c15-16-14(11-5-2-1-3-6-11)13-9-17-8-4-7-12(17)10-18-13/h1-3,5-6,12-14,16H,4,7-10,15H2
InChIKeyKHSFJVOCCISBCV-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.05
Rot. Bonds3

About [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(phenyl)methyl]hydrazine

[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(phenyl)methyl]hydrazine (PubChem CID 105244973) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(phenyl)methyl]hydrazine.

Molecular Properties

Compound Name[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(phenyl)methyl]hydrazine
PubChem CID105244973
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(phenyl)methyl]hydrazine
SMILESNNC(c1ccccc1)C1CN2CCCC2CO1
InChIInChI=1S/C14H21N3O/c15-16-14(11-5-2-1-3-6-11)13-9-17-8-4-7-12(17)10-18-13/h1-3,5-6,12-14,16H,4,7-10,15H2
InChIKeyKHSFJVOCCISBCV-UHFFFAOYSA-N
XLogP1.05
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(1-benzofuran-2-yl)methyl]hydrazine
CID 105245205
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105245175
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-phenylbutyl]hydrazine
CID 105244974
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105245086
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 79089425
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)propylhydrazine
CID 105245091
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)butylhydrazine
CID 105245001
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-phenylcyclopropyl)methanamine
CID 116517715
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclobutyl)methyl]hydrazine
CID 105245164
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105245184
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 79088499
N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-methoxyphenyl)methyl]ethanamine
CID 79096029

Frequently Asked Questions

What is the IUPAC name of [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(phenyl)methyl]hydrazine?
The IUPAC name of [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(phenyl)methyl]hydrazine (CID 105244973) is [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(phenyl)methyl]hydrazine.
What is the SMILES notation for [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(phenyl)methyl]hydrazine?
The canonical SMILES for [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(phenyl)methyl]hydrazine is NNC(c1ccccc1)C1CN2CCCC2CO1.
What is the InChIKey of [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(phenyl)methyl]hydrazine?
The InChIKey is KHSFJVOCCISBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-16-14(11-5-2-1-3-6-11)13-9-17-8-4-7-12(17)10-18-13/h1-3,5-6,12-14,16H,4,7-10,15H2.
What are the key properties of [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(phenyl)methyl]hydrazine?
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(phenyl)methyl]hydrazine has a molecular weight of 247.34 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(phenyl)methyl]hydrazine is sourced from PubChem (CID 105244973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).