2-[(S)-[(1R,2S,4S,5S)-4-methoxy-3-oxabicyclo[3.1.0]hexan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine

C15H22N2O2 — CID 100990516

IUPAC2-[(S)-[(1R,2S,4S,5S)-4-methoxy-3-oxabicyclo[3.1.0]hexan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine
SMILESCO[C@H]1O[C@H]([C@@H](NN(C)C)c2ccccc2)[C@@H]2C[C@H]12
InChIInChI=1S/C15H22N2O2/c1-17(2)16-13(10-7-5-4-6-8-10)14-11-9-12(11)15(18-3)19-14/h4-8,11-16H,9H2,1-3H3/t11-,12+,13+,14+,15+/m1/s1
InChIKeyLEKRRFVALMJEKJ-QTVXIADOSA-N
MW262.35 g/mol
LogP1.80
Rot. Bonds5

About 2-[(S)-[(1R,2S,4S,5S)-4-methoxy-3-oxabicyclo[3.1.0]hexan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine

2-[(S)-[(1R,2S,4S,5S)-4-methoxy-3-oxabicyclo[3.1.0]hexan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine (PubChem CID 100990516) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[(S)-[(1R,2S,4S,5S)-4-methoxy-3-oxabicyclo[3.1.0]hexan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine.

Molecular Properties

Compound Name2-[(S)-[(1R,2S,4S,5S)-4-methoxy-3-oxabicyclo[3.1.0]hexan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine
PubChem CID100990516
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[(S)-[(1R,2S,4S,5S)-4-methoxy-3-oxabicyclo[3.1.0]hexan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine
SMILESCO[C@H]1O[C@H]([C@@H](NN(C)C)c2ccccc2)[C@@H]2C[C@H]12
InChIInChI=1S/C15H22N2O2/c1-17(2)16-13(10-7-5-4-6-8-10)14-11-9-12(11)15(18-3)19-14/h4-8,11-16H,9H2,1-3H3/t11-,12+,13+,14+,15+/m1/s1
InChIKeyLEKRRFVALMJEKJ-QTVXIADOSA-N
XLogP1.80
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(S)-[(1R,2S,4S,5S)-4-methoxy-3-oxabicyclo[3.1.0]hexan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-[(1R,2S,4S,5S)-4-methoxy-3-oxabicyclo[3.1.0]hexan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine?
The IUPAC name of 2-[(S)-[(1R,2S,4S,5S)-4-methoxy-3-oxabicyclo[3.1.0]hexan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine (CID 100990516) is 2-[(S)-[(1R,2S,4S,5S)-4-methoxy-3-oxabicyclo[3.1.0]hexan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine.
What is the SMILES notation for 2-[(S)-[(1R,2S,4S,5S)-4-methoxy-3-oxabicyclo[3.1.0]hexan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine?
The canonical SMILES for 2-[(S)-[(1R,2S,4S,5S)-4-methoxy-3-oxabicyclo[3.1.0]hexan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine is CO[C@H]1O[C@H]([C@@H](NN(C)C)c2ccccc2)[C@@H]2C[C@H]12.
What is the InChIKey of 2-[(S)-[(1R,2S,4S,5S)-4-methoxy-3-oxabicyclo[3.1.0]hexan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine?
The InChIKey is LEKRRFVALMJEKJ-QTVXIADOSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(2)16-13(10-7-5-4-6-8-10)14-11-9-12(11)15(18-3)19-14/h4-8,11-16H,9H2,1-3H3/t11-,12+,13+,14+,15+/m1/s1.
What are the key properties of 2-[(S)-[(1R,2S,4S,5S)-4-methoxy-3-oxabicyclo[3.1.0]hexan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine?
2-[(S)-[(1R,2S,4S,5S)-4-methoxy-3-oxabicyclo[3.1.0]hexan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine has a molecular weight of 262.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-[(1R,2S,4S,5S)-4-methoxy-3-oxabicyclo[3.1.0]hexan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine is sourced from PubChem (CID 100990516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).