[(1R,4S)-4-(prop-2-enylamino)cyclohex-2-en-1-yl] acetate

C11H17NO2 — CID 15268440

IUPAC[(1R,4S)-4-(prop-2-enylamino)cyclohex-2-en-1-yl] acetate
SMILESC=CCN[C@@H]1C=C[C@H](OC(C)=O)CC1
InChIInChI=1S/C11H17NO2/c1-3-8-12-10-4-6-11(7-5-10)14-9(2)13/h3-4,6,10-12H,1,5,7-8H2,2H3/t10-,11+/m1/s1
InChIKeyLHDJJYVQNNWTHI-MNOVXSKESA-N
MW195.26 g/mol
LogP1.41
Rot. Bonds4

About [(1R,4S)-4-(prop-2-enylamino)cyclohex-2-en-1-yl] acetate

[(1R,4S)-4-(prop-2-enylamino)cyclohex-2-en-1-yl] acetate (PubChem CID 15268440) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is [(1R,4S)-4-(prop-2-enylamino)cyclohex-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,4S)-4-(prop-2-enylamino)cyclohex-2-en-1-yl] acetate
PubChem CID15268440
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name[(1R,4S)-4-(prop-2-enylamino)cyclohex-2-en-1-yl] acetate
SMILESC=CCN[C@@H]1C=C[C@H](OC(C)=O)CC1
InChIInChI=1S/C11H17NO2/c1-3-8-12-10-4-6-11(7-5-10)14-9(2)13/h3-4,6,10-12H,1,5,7-8H2,2H3/t10-,11+/m1/s1
InChIKeyLHDJJYVQNNWTHI-MNOVXSKESA-N
XLogP1.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Cyclohexene, 3-acetoxy-6-trifluoroacetamido-, cis-
CID 538569
Cyclohexene, 3-trifluoroacetamido-6-trifluoroacetoxy-, cis-
CID 555998
N-(4-(Acetyloxy)-2-cyclohexen-1-yl)acetamide
CID 538537
[(1R,4S)-4-[(2,2,2-trifluoroacetyl)amino]cyclohex-2-en-1-yl] acetate
CID 22212929
[(1S,4R)-4-[(2,2,2-trifluoroacetyl)amino]cyclohex-2-en-1-yl] 2,2,2-trifluoroacetate
CID 22214554
[(1S,4R)-4-(diethylamino)cyclohex-2-en-1-yl] acetate
CID 639483
[(1R,4S)-4-(diethylamino)cyclohex-2-en-1-yl] acetate
CID 22298161
[(1R,4S)-4-acetamidocyclohex-2-en-1-yl] acetate
CID 12651625
[(1S,4R)-4-acetamidocyclohex-2-en-1-yl] acetate
CID 53716012
trans-1-Acetoxy-4-(tert-butoxycarbonylamino)-2-cyclohexene
CID 69178218
[(1R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-2-en-1-yl] acetate
CID 69178219
[4-[(2-Methylpropan-2-yl)oxycarbonylamino]cyclohex-2-en-1-yl] acetate
CID 69178220

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-(prop-2-enylamino)cyclohex-2-en-1-yl] acetate?
The IUPAC name of [(1R,4S)-4-(prop-2-enylamino)cyclohex-2-en-1-yl] acetate (CID 15268440) is [(1R,4S)-4-(prop-2-enylamino)cyclohex-2-en-1-yl] acetate.
What is the SMILES notation for [(1R,4S)-4-(prop-2-enylamino)cyclohex-2-en-1-yl] acetate?
The canonical SMILES for [(1R,4S)-4-(prop-2-enylamino)cyclohex-2-en-1-yl] acetate is C=CCN[C@@H]1C=C[C@H](OC(C)=O)CC1.
What is the InChIKey of [(1R,4S)-4-(prop-2-enylamino)cyclohex-2-en-1-yl] acetate?
The InChIKey is LHDJJYVQNNWTHI-MNOVXSKESA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-8-12-10-4-6-11(7-5-10)14-9(2)13/h3-4,6,10-12H,1,5,7-8H2,2H3/t10-,11+/m1/s1.
What are the key properties of [(1R,4S)-4-(prop-2-enylamino)cyclohex-2-en-1-yl] acetate?
[(1R,4S)-4-(prop-2-enylamino)cyclohex-2-en-1-yl] acetate has a molecular weight of 195.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-(prop-2-enylamino)cyclohex-2-en-1-yl] acetate is sourced from PubChem (CID 15268440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).