4-amino-7-(2-methylpropyl)-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one

C15H23N3O — CID 107430673

IUPAC4-amino-7-(2-methylpropyl)-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESC#CCN1C(=O)N=C(N)C12CCCC(CC(C)C)C2
InChIInChI=1S/C15H23N3O/c1-4-8-18-14(19)17-13(16)15(18)7-5-6-12(10-15)9-11(2)3/h1,11-12H,5-10H2,2-3H3,(H2,16,17,19)
InChIKeyFBROEUKYEHOEDT-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.39
Rot. Bonds3

About 4-amino-7-(2-methylpropyl)-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-7-(2-methylpropyl)-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 107430673) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-amino-7-(2-methylpropyl)-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-7-(2-methylpropyl)-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID107430673
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-amino-7-(2-methylpropyl)-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESC#CCN1C(=O)N=C(N)C12CCCC(CC(C)C)C2
InChIInChI=1S/C15H23N3O/c1-4-8-18-14(19)17-13(16)15(18)7-5-6-12(10-15)9-11(2)3/h1,11-12H,5-10H2,2-3H3,(H2,16,17,19)
InChIKeyFBROEUKYEHOEDT-UHFFFAOYSA-N
XLogP2.39
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79961054
4-amino-7-propan-2-yl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 107450747
4-amino-1-but-3-yn-2-yl-8-ethyl-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 114420905
4-amino-5-methyl-5-propan-2-yl-1-prop-2-ynylimidazol-2-one
CID 79967712
4-amino-1-cyclopropyl-7-ethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961206
4-amino-1-(2-methoxyethyl)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79968039
4-amino-8,8-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959479
4-amino-1-(cyclopropylmethyl)-8-methyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79985069
8-amino-5-(2-methylpropyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-7-en-6-one
CID 103565729
4-amino-1-(2-methylpropyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959490
4-amino-8-tert-butyl-1-(cyclopropylmethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79967360
8-amino-5-but-3-yn-2-yl-5,7-diazaspiro[3.4]oct-7-en-6-one
CID 114420737

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-(2-methylpropyl)-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-7-(2-methylpropyl)-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 107430673) is 4-amino-7-(2-methylpropyl)-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-7-(2-methylpropyl)-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-7-(2-methylpropyl)-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one is C#CCN1C(=O)N=C(N)C12CCCC(CC(C)C)C2.
What is the InChIKey of 4-amino-7-(2-methylpropyl)-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is FBROEUKYEHOEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-8-18-14(19)17-13(16)15(18)7-5-6-12(10-15)9-11(2)3/h1,11-12H,5-10H2,2-3H3,(H2,16,17,19).
What are the key properties of 4-amino-7-(2-methylpropyl)-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-7-(2-methylpropyl)-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 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-(2-methylpropyl)-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 107430673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).