2-[(E)-4-methylhex-3-enyl]-2,7-diazaspiro[4.5]decan-6-one

C15H26N2O — CID 72922392

IUPAC2-[(E)-4-methylhex-3-enyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCC/C(C)=C/CCN1CCC2(CCCNC2=O)C1
InChIInChI=1S/C15H26N2O/c1-3-13(2)6-4-10-17-11-8-15(12-17)7-5-9-16-14(15)18/h6H,3-5,7-12H2,1-2H3,(H,16,18)/b13-6+
InChIKeyQLYMJKGHYRRMDO-AWNIVKPZSA-N
MW250.39 g/mol
LogP2.33
Rot. Bonds4

About 2-[(E)-4-methylhex-3-enyl]-2,7-diazaspiro[4.5]decan-6-one

2-[(E)-4-methylhex-3-enyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72922392) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[(E)-4-methylhex-3-enyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[(E)-4-methylhex-3-enyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72922392
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[(E)-4-methylhex-3-enyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCC/C(C)=C/CCN1CCC2(CCCNC2=O)C1
InChIInChI=1S/C15H26N2O/c1-3-13(2)6-4-10-17-11-8-15(12-17)7-5-9-16-14(15)18/h6H,3-5,7-12H2,1-2H3,(H,16,18)/b13-6+
InChIKeyQLYMJKGHYRRMDO-AWNIVKPZSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.33
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 2-[(E)-4-methylhex-3-enyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[(E)-4-methylhex-3-enyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72922392) is 2-[(E)-4-methylhex-3-enyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[(E)-4-methylhex-3-enyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[(E)-4-methylhex-3-enyl]-2,7-diazaspiro[4.5]decan-6-one is CC/C(C)=C/CCN1CCC2(CCCNC2=O)C1.
What is the InChIKey of 2-[(E)-4-methylhex-3-enyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is QLYMJKGHYRRMDO-AWNIVKPZSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-13(2)6-4-10-17-11-8-15(12-17)7-5-9-16-14(15)18/h6H,3-5,7-12H2,1-2H3,(H,16,18)/b13-6+.
What are the key properties of 2-[(E)-4-methylhex-3-enyl]-2,7-diazaspiro[4.5]decan-6-one?
2-[(E)-4-methylhex-3-enyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 250.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-methylhex-3-enyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72922392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).