(2S)-2-cyclohex-2-en-1-yloxy-N-methylpropan-1-imine oxide

C10H17NO2 — CID 11106010

IUPAC(2S)-2-cyclohex-2-en-1-yloxy-N-methylpropan-1-imine oxide
SMILESC[C@@H](/C=[N+](/C)[O-])OC1C=CCCC1
InChIInChI=1S/C10H17NO2/c1-9(8-11(2)12)13-10-6-4-3-5-7-10/h4,6,8-10H,3,5,7H2,1-2H3/b11-8-/t9-,10?/m0/s1
InChIKeyWFUZEYQWAFHBOM-RSADYMBWSA-N
MW183.25 g/mol
LogP1.71
Rot. Bonds3

About (2S)-2-cyclohex-2-en-1-yloxy-N-methylpropan-1-imine oxide

(2S)-2-cyclohex-2-en-1-yloxy-N-methylpropan-1-imine oxide (PubChem CID 11106010) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (2S)-2-cyclohex-2-en-1-yloxy-N-methylpropan-1-imine oxide.

Molecular Properties

Compound Name(2S)-2-cyclohex-2-en-1-yloxy-N-methylpropan-1-imine oxide
PubChem CID11106010
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(2S)-2-cyclohex-2-en-1-yloxy-N-methylpropan-1-imine oxide
SMILESC[C@@H](/C=[N+](/C)[O-])OC1C=CCCC1
InChIInChI=1S/C10H17NO2/c1-9(8-11(2)12)13-10-6-4-3-5-7-10/h4,6,8-10H,3,5,7H2,1-2H3/b11-8-/t9-,10?/m0/s1
InChIKeyWFUZEYQWAFHBOM-RSADYMBWSA-N
XLogP1.71
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-cyclohex-2-en-1-yloxyethanol
CID 143838832
3-[bis(dimethoxyphosphoryl)methoxy]cyclohexene
CID 15108738
cyclohex-2-en-1-yl 3-methylbutanoate
CID 3016266
cyclohex-2-en-1-yl hypoiodite
CID 154559496
[(1R)-cyclohept-2-en-1-yl] 2-methylpropanoate
CID 14932680
3-ethenoxycyclohexene
CID 12734632
3-(2-cyclohex-2-en-1-yloxypropan-2-yloxy)cyclohexene
CID 141430712
cyclohex-2-en-1-yl acetate;methane
CID 159882311
3-(1-butoxy-2-iodoethoxy)cyclohexene
CID 10990946
O-[(1S)-cyclohex-2-en-1-yl] N-propan-2-ylcarbamothioate
CID 101177105
1-(3-chloro-4-methylphenyl)-1-cyclohex-2-en-1-yloxypropan-2-one
CID 142109366
cyclohex-2-en-1-yl propanoate
CID 10986464

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohex-2-en-1-yloxy-N-methylpropan-1-imine oxide?
The IUPAC name of (2S)-2-cyclohex-2-en-1-yloxy-N-methylpropan-1-imine oxide (CID 11106010) is (2S)-2-cyclohex-2-en-1-yloxy-N-methylpropan-1-imine oxide.
What is the SMILES notation for (2S)-2-cyclohex-2-en-1-yloxy-N-methylpropan-1-imine oxide?
The canonical SMILES for (2S)-2-cyclohex-2-en-1-yloxy-N-methylpropan-1-imine oxide is C[C@@H](/C=[N+](/C)[O-])OC1C=CCCC1.
What is the InChIKey of (2S)-2-cyclohex-2-en-1-yloxy-N-methylpropan-1-imine oxide?
The InChIKey is WFUZEYQWAFHBOM-RSADYMBWSA-N. The full InChI is InChI=1S/C10H17NO2/c1-9(8-11(2)12)13-10-6-4-3-5-7-10/h4,6,8-10H,3,5,7H2,1-2H3/b11-8-/t9-,10?/m0/s1.
What are the key properties of (2S)-2-cyclohex-2-en-1-yloxy-N-methylpropan-1-imine oxide?
(2S)-2-cyclohex-2-en-1-yloxy-N-methylpropan-1-imine oxide has a molecular weight of 183.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohex-2-en-1-yloxy-N-methylpropan-1-imine oxide is sourced from PubChem (CID 11106010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).