4-amino-1-propyl-1,3-diazaspiro[4.4]non-3-en-2-one

C10H17N3O — CID 79961769

IUPAC4-amino-1-propyl-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCCCN1C(=O)N=C(N)C12CCCC2
InChIInChI=1S/C10H17N3O/c1-2-7-13-9(14)12-8(11)10(13)5-3-4-6-10/h2-7H2,1H3,(H2,11,12,14)
InChIKeyDCDKGDZJQSJCTQ-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.50
Rot. Bonds2

About 4-amino-1-propyl-1,3-diazaspiro[4.4]non-3-en-2-one

4-amino-1-propyl-1,3-diazaspiro[4.4]non-3-en-2-one (PubChem CID 79961769) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-amino-1-propyl-1,3-diazaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-propyl-1,3-diazaspiro[4.4]non-3-en-2-one
PubChem CID79961769
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-amino-1-propyl-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCCCN1C(=O)N=C(N)C12CCCC2
InChIInChI=1S/C10H17N3O/c1-2-7-13-9(14)12-8(11)10(13)5-3-4-6-10/h2-7H2,1H3,(H2,11,12,14)
InChIKeyDCDKGDZJQSJCTQ-UHFFFAOYSA-N
XLogP1.50
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-propyl-1,3-diazaspiro[4.4]non-3-en-2-one?
The IUPAC name of 4-amino-1-propyl-1,3-diazaspiro[4.4]non-3-en-2-one (CID 79961769) is 4-amino-1-propyl-1,3-diazaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 4-amino-1-propyl-1,3-diazaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 4-amino-1-propyl-1,3-diazaspiro[4.4]non-3-en-2-one is CCCN1C(=O)N=C(N)C12CCCC2.
What is the InChIKey of 4-amino-1-propyl-1,3-diazaspiro[4.4]non-3-en-2-one?
The InChIKey is DCDKGDZJQSJCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-7-13-9(14)12-8(11)10(13)5-3-4-6-10/h2-7H2,1H3,(H2,11,12,14).
What are the key properties of 4-amino-1-propyl-1,3-diazaspiro[4.4]non-3-en-2-one?
4-amino-1-propyl-1,3-diazaspiro[4.4]non-3-en-2-one has a molecular weight of 195.27 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-propyl-1,3-diazaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 79961769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).