(1S,5R)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide

C24H35NO2 — CID 127042780

IUPAC(1S,5R)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)[C@H]1CC=C(C(C)C)[C@]12C=CC(=O)CC2
InChIInChI=1S/C24H35NO2/c1-17(2)7-6-8-19(5)13-16-25-23(27)22-10-9-21(18(3)4)24(22)14-11-20(26)12-15-24/h7,9,11,13-14,18,22H,6,8,10,12,15-16H2,1-5H3,(H,25,27)/b19-13+/t22-,24-/m1/s1
InChIKeyIOPSEJYEJPMCSD-DVJXQAEMSA-N
MW369.55 g/mol
LogP5.30
Rot. Bonds7

About (1S,5R)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide

(1S,5R)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide (PubChem CID 127042780) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is (1S,5R)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide
PubChem CID127042780
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC Name(1S,5R)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)[C@H]1CC=C(C(C)C)[C@]12C=CC(=O)CC2
InChIInChI=1S/C24H35NO2/c1-17(2)7-6-8-19(5)13-16-25-23(27)22-10-9-21(18(3)4)24(22)14-11-20(26)12-15-24/h7,9,11,13-14,18,22H,6,8,10,12,15-16H2,1-5H3,(H,25,27)/b19-13+/t22-,24-/m1/s1
InChIKeyIOPSEJYEJPMCSD-DVJXQAEMSA-N
XLogP5.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,5R)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide?
The IUPAC name of (1S,5R)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide (CID 127042780) is (1S,5R)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide.
What is the SMILES notation for (1S,5R)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide?
The canonical SMILES for (1S,5R)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide is CC(C)=CCC/C(C)=C/CNC(=O)[C@H]1CC=C(C(C)C)[C@]12C=CC(=O)CC2.
What is the InChIKey of (1S,5R)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide?
The InChIKey is IOPSEJYEJPMCSD-DVJXQAEMSA-N. The full InChI is InChI=1S/C24H35NO2/c1-17(2)7-6-8-19(5)13-16-25-23(27)22-10-9-21(18(3)4)24(22)14-11-20(26)12-15-24/h7,9,11,13-14,18,22H,6,8,10,12,15-16H2,1-5H3,(H,25,27)/b19-13+/t22-,24-/m1/s1.
What are the key properties of (1S,5R)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide?
(1S,5R)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide has a molecular weight of 369.55 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide is sourced from PubChem (CID 127042780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).