1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one

C15H23N3O — CID 142071724

IUPAC1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESC=C(/C=C\C=C/C)N1CNC(=O)C12CCN(C)CC2
InChIInChI=1S/C15H23N3O/c1-4-5-6-7-13(2)18-12-16-14(19)15(18)8-10-17(3)11-9-15/h4-7H,2,8-12H2,1,3H3,(H,16,19)/b5-4-,7-6-
InChIKeyQRSVWKFVMADVPO-RZSVFLSASA-N
MW261.37 g/mol
LogP1.49
Rot. Bonds3

About 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one

1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 142071724) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID142071724
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESC=C(/C=C\C=C/C)N1CNC(=O)C12CCN(C)CC2
InChIInChI=1S/C15H23N3O/c1-4-5-6-7-13(2)18-12-16-14(19)15(18)8-10-17(3)11-9-15/h4-7H,2,8-12H2,1,3H3,(H,16,19)/b5-4-,7-6-
InChIKeyQRSVWKFVMADVPO-RZSVFLSASA-N
XLogP1.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2E,4E)-5-fluorohepta-2,4-dien-6-yn-2-yl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 143038832
1-Cyclohexa-1,3-dien-1-yl-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 70334548
1-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 89862603
1-(3-Chlorocyclohexa-1,5-dien-1-yl)-3-methyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 123585289
1-[(2E,4Z)-hepta-2,4-dien-6-yn-3-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 135265142
1-(5,5-Dimethylcyclohexa-1,3-dien-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 141234187
1-Cyclohexa-2,4-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one
CID 141768044
ethane;5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one
CID 142026677
1-Cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one;ethane
CID 142042698
1-Cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one
CID 142042699
ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 142071723
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 142152590

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 142071724) is 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one is C=C(/C=C\C=C/C)N1CNC(=O)C12CCN(C)CC2.
What is the InChIKey of 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is QRSVWKFVMADVPO-RZSVFLSASA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-5-6-7-13(2)18-12-16-14(19)15(18)8-10-17(3)11-9-15/h4-7H,2,8-12H2,1,3H3,(H,16,19)/b5-4-,7-6-.
What are the key properties of 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one?
1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 261.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 142071724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).