[(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl] imidazole-1-carboxylate

C17H26N2O2 — CID 134552310

IUPAC[(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl] imidazole-1-carboxylate
SMILESCC(C)=C1C[C@@H](OC(=O)n2ccnc2)CC[C@]1(C)C(C)C
InChIInChI=1S/C17H26N2O2/c1-12(2)15-10-14(6-7-17(15,5)13(3)4)21-16(20)19-9-8-18-11-19/h8-9,11,13-14H,6-7,10H2,1-5H3/t14-,17+/m0/s1
InChIKeyBHLPUVXCPRFPLH-WMLDXEAASA-N
MW290.41 g/mol
LogP4.42
Rot. Bonds2

About [(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl] imidazole-1-carboxylate

[(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl] imidazole-1-carboxylate (PubChem CID 134552310) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl] imidazole-1-carboxylate.

Molecular Properties

Compound Name[(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl] imidazole-1-carboxylate
PubChem CID134552310
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl] imidazole-1-carboxylate
SMILESCC(C)=C1C[C@@H](OC(=O)n2ccnc2)CC[C@]1(C)C(C)C
InChIInChI=1S/C17H26N2O2/c1-12(2)15-10-14(6-7-17(15,5)13(3)4)21-16(20)19-9-8-18-11-19/h8-9,11,13-14H,6-7,10H2,1-5H3/t14-,17+/m0/s1
InChIKeyBHLPUVXCPRFPLH-WMLDXEAASA-N
XLogP4.42
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl] imidazole-1-carboxylate?
The IUPAC name of [(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl] imidazole-1-carboxylate (CID 134552310) is [(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl] imidazole-1-carboxylate.
What is the SMILES notation for [(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl] imidazole-1-carboxylate?
The canonical SMILES for [(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl] imidazole-1-carboxylate is CC(C)=C1C[C@@H](OC(=O)n2ccnc2)CC[C@]1(C)C(C)C.
What is the InChIKey of [(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl] imidazole-1-carboxylate?
The InChIKey is BHLPUVXCPRFPLH-WMLDXEAASA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)15-10-14(6-7-17(15,5)13(3)4)21-16(20)19-9-8-18-11-19/h8-9,11,13-14H,6-7,10H2,1-5H3/t14-,17+/m0/s1.
What are the key properties of [(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl] imidazole-1-carboxylate?
[(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl] imidazole-1-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl] imidazole-1-carboxylate is sourced from PubChem (CID 134552310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).