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

C14H20N4O3 — CID 62245888

IUPAC[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-nitrophenyl]hydrazine
SMILESNNc1ccc([N+](=O)[O-])cc1CN1CCOC2CCCC21
InChIInChI=1S/C14H20N4O3/c15-16-12-5-4-11(18(19)20)8-10(12)9-17-6-7-21-14-3-1-2-13(14)17/h4-5,8,13-14,16H,1-3,6-7,9,15H2
InChIKeyUOSXXEKJRWGGJI-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.63
Rot. Bonds4

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

[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-nitrophenyl]hydrazine (PubChem CID 62245888) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is [2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-nitrophenyl]hydrazine
PubChem CID62245888
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-nitrophenyl]hydrazine
SMILESNNc1ccc([N+](=O)[O-])cc1CN1CCOC2CCCC21
InChIInChI=1S/C14H20N4O3/c15-16-12-5-4-11(18(19)20)8-10(12)9-17-6-7-21-14-3-1-2-13(14)17/h4-5,8,13-14,16H,1-3,6-7,9,15H2
InChIKeyUOSXXEKJRWGGJI-UHFFFAOYSA-N
XLogP1.63
TPSA93.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(azepan-1-ylmethyl)-4-nitrophenyl]hydrazine
CID 62244610
1-[(2-hydrazinyl-5-nitrophenyl)methyl]-3-methylpiperidin-2-one
CID 104680423
[2-[(4,4-dimethylazepan-1-yl)methyl]-4-nitrophenyl]hydrazine
CID 65281765
(4aS,7aS)-4-[2-(4-nitrophenyl)ethyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 96549114
2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(2-methyl-4-nitrophenyl)acetamide
CID 95899812
[4-nitro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 103502418
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-methyl-6-nitroaniline
CID 107350983
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-nitroaniline
CID 102728151
[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-nitrophenyl]hydrazine
CID 83221769
N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 62546828
N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82743198
3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-(3-nitrophenyl)propanamide
CID 97213879

Frequently Asked Questions

What is the IUPAC name of [2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-nitrophenyl]hydrazine?
The IUPAC name of [2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-nitrophenyl]hydrazine (CID 62245888) is [2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-nitrophenyl]hydrazine.
What is the SMILES notation for [2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-nitrophenyl]hydrazine?
The canonical SMILES for [2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-nitrophenyl]hydrazine is NNc1ccc([N+](=O)[O-])cc1CN1CCOC2CCCC21.
What is the InChIKey of [2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-nitrophenyl]hydrazine?
The InChIKey is UOSXXEKJRWGGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c15-16-12-5-4-11(18(19)20)8-10(12)9-17-6-7-21-14-3-1-2-13(14)17/h4-5,8,13-14,16H,1-3,6-7,9,15H2.
What are the key properties of [2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-nitrophenyl]hydrazine?
[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-nitrophenyl]hydrazine has a molecular weight of 292.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-nitrophenyl]hydrazine is sourced from PubChem (CID 62245888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).