4-amino-9-methyl-6-propan-2-yl-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one

C15H23N3O — CID 79967158

IUPAC4-amino-9-methyl-6-propan-2-yl-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESC#CCN1C(=O)N=C(N)C12CC(C)CCC2C(C)C
InChIInChI=1S/C15H23N3O/c1-5-8-18-14(19)17-13(16)15(18)9-11(4)6-7-12(15)10(2)3/h1,10-12H,6-9H2,2-4H3,(H2,16,17,19)
InChIKeyQRQIFDJNGDUOJU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.24
Rot. Bonds2

About 4-amino-9-methyl-6-propan-2-yl-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-9-methyl-6-propan-2-yl-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79967158) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-amino-9-methyl-6-propan-2-yl-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-9-methyl-6-propan-2-yl-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79967158
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-amino-9-methyl-6-propan-2-yl-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESC#CCN1C(=O)N=C(N)C12CC(C)CCC2C(C)C
InChIInChI=1S/C15H23N3O/c1-5-8-18-14(19)17-13(16)15(18)9-11(4)6-7-12(15)10(2)3/h1,10-12H,6-9H2,2-4H3,(H2,16,17,19)
InChIKeyQRQIFDJNGDUOJU-UHFFFAOYSA-N
XLogP2.24
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-9-methyl-6-propan-2-yl-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-9-methyl-6-propan-2-yl-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79967158) is 4-amino-9-methyl-6-propan-2-yl-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-9-methyl-6-propan-2-yl-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-9-methyl-6-propan-2-yl-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one is C#CCN1C(=O)N=C(N)C12CC(C)CCC2C(C)C.
What is the InChIKey of 4-amino-9-methyl-6-propan-2-yl-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is QRQIFDJNGDUOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-5-8-18-14(19)17-13(16)15(18)9-11(4)6-7-12(15)10(2)3/h1,10-12H,6-9H2,2-4H3,(H2,16,17,19).
What are the key properties of 4-amino-9-methyl-6-propan-2-yl-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-9-methyl-6-propan-2-yl-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-9-methyl-6-propan-2-yl-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79967158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).