4-amino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undec-3-en-2-one

C15H25N3O — CID 79967054

IUPAC4-amino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undec-3-en-2-one
SMILESC=CCN1C(=O)N=C(N)C12CCCC(CCC)CC2
InChIInChI=1S/C15H25N3O/c1-3-6-12-7-5-9-15(10-8-12)13(16)17-14(19)18(15)11-4-2/h4,12H,2-3,5-11H2,1H3,(H2,16,17,19)
InChIKeyHWXVEALHZPKULT-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.08
Rot. Bonds4

About 4-amino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undec-3-en-2-one

4-amino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undec-3-en-2-one (PubChem CID 79967054) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-amino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undec-3-en-2-one
PubChem CID79967054
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-amino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undec-3-en-2-one
SMILESC=CCN1C(=O)N=C(N)C12CCCC(CCC)CC2
InChIInChI=1S/C15H25N3O/c1-3-6-12-7-5-9-15(10-8-12)13(16)17-14(19)18(15)11-4-2/h4,12H,2-3,5-11H2,1H3,(H2,16,17,19)
InChIKeyHWXVEALHZPKULT-UHFFFAOYSA-N
XLogP3.08
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.08
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-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undec-3-en-2-one?
The IUPAC name of 4-amino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undec-3-en-2-one (CID 79967054) is 4-amino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undec-3-en-2-one.
What is the SMILES notation for 4-amino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undec-3-en-2-one?
The canonical SMILES for 4-amino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undec-3-en-2-one is C=CCN1C(=O)N=C(N)C12CCCC(CCC)CC2.
What is the InChIKey of 4-amino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undec-3-en-2-one?
The InChIKey is HWXVEALHZPKULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-6-12-7-5-9-15(10-8-12)13(16)17-14(19)18(15)11-4-2/h4,12H,2-3,5-11H2,1H3,(H2,16,17,19).
What are the key properties of 4-amino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undec-3-en-2-one?
4-amino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undec-3-en-2-one has a molecular weight of 263.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undec-3-en-2-one is sourced from PubChem (CID 79967054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).