4-amino-1,7-dicyclopropyl-1,3-diazaspiro[4.5]dec-3-en-2-one

C14H21N3O — CID 79959458

IUPAC4-amino-1,7-dicyclopropyl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESNC1=NC(=O)N(C2CC2)C12CCCC(C1CC1)C2
InChIInChI=1S/C14H21N3O/c15-12-14(17(11-5-6-11)13(18)16-12)7-1-2-10(8-14)9-3-4-9/h9-11H,1-8H2,(H2,15,16,18)
InChIKeySOCBQTMFVHCBDO-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.28
Rot. Bonds2

About 4-amino-1,7-dicyclopropyl-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-1,7-dicyclopropyl-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79959458) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-amino-1,7-dicyclopropyl-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1,7-dicyclopropyl-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79959458
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-amino-1,7-dicyclopropyl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESNC1=NC(=O)N(C2CC2)C12CCCC(C1CC1)C2
InChIInChI=1S/C14H21N3O/c15-12-14(17(11-5-6-11)13(18)16-12)7-1-2-10(8-14)9-3-4-9/h9-11H,1-8H2,(H2,15,16,18)
InChIKeySOCBQTMFVHCBDO-UHFFFAOYSA-N
XLogP2.28
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,7-dicyclopropyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1,7-dicyclopropyl-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79959458) is 4-amino-1,7-dicyclopropyl-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1,7-dicyclopropyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1,7-dicyclopropyl-1,3-diazaspiro[4.5]dec-3-en-2-one is NC1=NC(=O)N(C2CC2)C12CCCC(C1CC1)C2.
What is the InChIKey of 4-amino-1,7-dicyclopropyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is SOCBQTMFVHCBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-12-14(17(11-5-6-11)13(18)16-12)7-1-2-10(8-14)9-3-4-9/h9-11H,1-8H2,(H2,15,16,18).
What are the key properties of 4-amino-1,7-dicyclopropyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1,7-dicyclopropyl-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,7-dicyclopropyl-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79959458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).