4-amino-7-propan-2-yl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-3-en-2-one

C14H23N3O — CID 107450747

IUPAC4-amino-7-propan-2-yl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESC=CCN1C(=O)N=C(N)C12CCCC(C(C)C)C2
InChIInChI=1S/C14H23N3O/c1-4-8-17-13(18)16-12(15)14(17)7-5-6-11(9-14)10(2)3/h4,10-11H,1,5-9H2,2-3H3,(H2,15,16,18)
InChIKeyHRIHQOVWAXIALY-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.55
Rot. Bonds3

About 4-amino-7-propan-2-yl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-7-propan-2-yl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 107450747) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-amino-7-propan-2-yl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-7-propan-2-yl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID107450747
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-amino-7-propan-2-yl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESC=CCN1C(=O)N=C(N)C12CCCC(C(C)C)C2
InChIInChI=1S/C14H23N3O/c1-4-8-17-13(18)16-12(15)14(17)7-5-6-11(9-14)10(2)3/h4,10-11H,1,5-9H2,2-3H3,(H2,15,16,18)
InChIKeyHRIHQOVWAXIALY-UHFFFAOYSA-N
XLogP2.55
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.55
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 4-amino-7-propan-2-yl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-7-propan-2-yl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 107450747) is 4-amino-7-propan-2-yl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-7-propan-2-yl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-7-propan-2-yl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-3-en-2-one is C=CCN1C(=O)N=C(N)C12CCCC(C(C)C)C2.
What is the InChIKey of 4-amino-7-propan-2-yl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is HRIHQOVWAXIALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-8-17-13(18)16-12(15)14(17)7-5-6-11(9-14)10(2)3/h4,10-11H,1,5-9H2,2-3H3,(H2,15,16,18).
What are the key properties of 4-amino-7-propan-2-yl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-7-propan-2-yl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 249.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-propan-2-yl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 107450747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).