4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.6]undec-3-en-2-one

C14H23N3O — CID 79959443

IUPAC4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.6]undec-3-en-2-one
SMILESCC1(C)CCCC2(CC1)C(N)=NC(=O)N2C1CC1
InChIInChI=1S/C14H23N3O/c1-13(2)6-3-7-14(9-8-13)11(15)16-12(18)17(14)10-4-5-10/h10H,3-9H2,1-2H3,(H2,15,16,18)
InChIKeyKHBOYONOLUYJOL-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.67
Rot. Bonds1

About 4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.6]undec-3-en-2-one

4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.6]undec-3-en-2-one (PubChem CID 79959443) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.6]undec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.6]undec-3-en-2-one
PubChem CID79959443
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.6]undec-3-en-2-one
SMILESCC1(C)CCCC2(CC1)C(N)=NC(=O)N2C1CC1
InChIInChI=1S/C14H23N3O/c1-13(2)6-3-7-14(9-8-13)11(15)16-12(18)17(14)10-4-5-10/h10H,3-9H2,1-2H3,(H2,15,16,18)
InChIKeyKHBOYONOLUYJOL-UHFFFAOYSA-N
XLogP2.67
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.6]undec-3-en-2-one?
The IUPAC name of 4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.6]undec-3-en-2-one (CID 79959443) is 4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.6]undec-3-en-2-one.
What is the SMILES notation for 4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.6]undec-3-en-2-one?
The canonical SMILES for 4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.6]undec-3-en-2-one is CC1(C)CCCC2(CC1)C(N)=NC(=O)N2C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.6]undec-3-en-2-one?
The InChIKey is KHBOYONOLUYJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-13(2)6-3-7-14(9-8-13)11(15)16-12(18)17(14)10-4-5-10/h10H,3-9H2,1-2H3,(H2,15,16,18).
What are the key properties of 4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.6]undec-3-en-2-one?
4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.6]undec-3-en-2-one has a molecular weight of 249.36 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.6]undec-3-en-2-one is sourced from PubChem (CID 79959443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).