N-[(1R,2S,6R)-2-ethenyl-4-methyl-6-propan-2-yloxycyclohex-3-en-1-yl]acetamide

C14H23NO2 — CID 59076572

IUPACN-[(1R,2S,6R)-2-ethenyl-4-methyl-6-propan-2-yloxycyclohex-3-en-1-yl]acetamide
SMILESC=C[C@H]1C=C(C)C[C@@H](OC(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C14H23NO2/c1-6-12-7-10(4)8-13(17-9(2)3)14(12)15-11(5)16/h6-7,9,12-14H,1,8H2,2-5H3,(H,15,16)/t12-,13+,14+/m0/s1
InChIKeyXNEQLPSHPZRDOX-BFHYXJOUSA-N
MW237.34 g/mol
LogP2.44
Rot. Bonds4

About N-[(1R,2S,6R)-2-ethenyl-4-methyl-6-propan-2-yloxycyclohex-3-en-1-yl]acetamide

N-[(1R,2S,6R)-2-ethenyl-4-methyl-6-propan-2-yloxycyclohex-3-en-1-yl]acetamide (PubChem CID 59076572) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(1R,2S,6R)-2-ethenyl-4-methyl-6-propan-2-yloxycyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S,6R)-2-ethenyl-4-methyl-6-propan-2-yloxycyclohex-3-en-1-yl]acetamide
PubChem CID59076572
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[(1R,2S,6R)-2-ethenyl-4-methyl-6-propan-2-yloxycyclohex-3-en-1-yl]acetamide
SMILESC=C[C@H]1C=C(C)C[C@@H](OC(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C14H23NO2/c1-6-12-7-10(4)8-13(17-9(2)3)14(12)15-11(5)16/h6-7,9,12-14H,1,8H2,2-5H3,(H,15,16)/t12-,13+,14+/m0/s1
InChIKeyXNEQLPSHPZRDOX-BFHYXJOUSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,6R)-2-ethenyl-4-methyl-6-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1R,2S,6R)-2-ethenyl-4-methyl-6-propan-2-yloxycyclohex-3-en-1-yl]acetamide (CID 59076572) is N-[(1R,2S,6R)-2-ethenyl-4-methyl-6-propan-2-yloxycyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2S,6R)-2-ethenyl-4-methyl-6-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1R,2S,6R)-2-ethenyl-4-methyl-6-propan-2-yloxycyclohex-3-en-1-yl]acetamide is C=C[C@H]1C=C(C)C[C@@H](OC(C)C)[C@@H]1NC(C)=O.
What is the InChIKey of N-[(1R,2S,6R)-2-ethenyl-4-methyl-6-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
The InChIKey is XNEQLPSHPZRDOX-BFHYXJOUSA-N. The full InChI is InChI=1S/C14H23NO2/c1-6-12-7-10(4)8-13(17-9(2)3)14(12)15-11(5)16/h6-7,9,12-14H,1,8H2,2-5H3,(H,15,16)/t12-,13+,14+/m0/s1.
What are the key properties of N-[(1R,2S,6R)-2-ethenyl-4-methyl-6-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
N-[(1R,2S,6R)-2-ethenyl-4-methyl-6-propan-2-yloxycyclohex-3-en-1-yl]acetamide has a molecular weight of 237.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,6R)-2-ethenyl-4-methyl-6-propan-2-yloxycyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 59076572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).