8-amino-5-(2-methylpropyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-7-en-6-one

C13H23N3O — CID 103565729

IUPAC8-amino-5-(2-methylpropyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-7-en-6-one
SMILESCC(C)CN1C(=O)N=C(N)C12CC(C(C)C)C2
InChIInChI=1S/C13H23N3O/c1-8(2)7-16-12(17)15-11(14)13(16)5-10(6-13)9(3)4/h8-10H,5-7H2,1-4H3,(H2,14,15,17)
InChIKeyBYAREUXUUZNFAL-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.24
Rot. Bonds3

About 8-amino-5-(2-methylpropyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-7-en-6-one

8-amino-5-(2-methylpropyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-7-en-6-one (PubChem CID 103565729) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 8-amino-5-(2-methylpropyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-7-en-6-one.

Molecular Properties

Compound Name8-amino-5-(2-methylpropyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-7-en-6-one
PubChem CID103565729
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name8-amino-5-(2-methylpropyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-7-en-6-one
SMILESCC(C)CN1C(=O)N=C(N)C12CC(C(C)C)C2
InChIInChI=1S/C13H23N3O/c1-8(2)7-16-12(17)15-11(14)13(16)5-10(6-13)9(3)4/h8-10H,5-7H2,1-4H3,(H2,14,15,17)
InChIKeyBYAREUXUUZNFAL-UHFFFAOYSA-N
XLogP2.24
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-8,8-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959479
4-amino-1-(2-methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 79959475
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-(cyclopropylmethyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967350
4-amino-6,6-dimethyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960511
4-amino-7-(2-methylpropyl)-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 107430673
4-amino-1-(cyclopropylmethyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79985558
8-amino-2-ethoxy-5-(2-methoxyethyl)-5,7-diazaspiro[3.4]oct-7-en-6-one
CID 106824969
4-amino-1-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960085
4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967912

Frequently Asked Questions

What is the IUPAC name of 8-amino-5-(2-methylpropyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-7-en-6-one?
The IUPAC name of 8-amino-5-(2-methylpropyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-7-en-6-one (CID 103565729) is 8-amino-5-(2-methylpropyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-7-en-6-one.
What is the SMILES notation for 8-amino-5-(2-methylpropyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-7-en-6-one?
The canonical SMILES for 8-amino-5-(2-methylpropyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-7-en-6-one is CC(C)CN1C(=O)N=C(N)C12CC(C(C)C)C2.
What is the InChIKey of 8-amino-5-(2-methylpropyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-7-en-6-one?
The InChIKey is BYAREUXUUZNFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-8(2)7-16-12(17)15-11(14)13(16)5-10(6-13)9(3)4/h8-10H,5-7H2,1-4H3,(H2,14,15,17).
What are the key properties of 8-amino-5-(2-methylpropyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-7-en-6-one?
8-amino-5-(2-methylpropyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-7-en-6-one has a molecular weight of 237.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-5-(2-methylpropyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-7-en-6-one is sourced from PubChem (CID 103565729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).