4-amino-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one

C11H20N4O — CID 79960459

IUPAC4-amino-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one
SMILESCC(C)N1CCCC2(CC1)NC(=O)N=C2N
InChIInChI=1S/C11H20N4O/c1-8(2)15-6-3-4-11(5-7-15)9(12)13-10(16)14-11/h8H,3-7H2,1-2H3,(H3,12,13,14,16)
InChIKeyKSXFTPGXSBSEMC-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.70
Rot. Bonds1

About 4-amino-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one

4-amino-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one (PubChem CID 79960459) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-amino-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one.

Molecular Properties

Compound Name4-amino-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one
PubChem CID79960459
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-amino-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one
SMILESCC(C)N1CCCC2(CC1)NC(=O)N=C2N
InChIInChI=1S/C11H20N4O/c1-8(2)15-6-3-4-11(5-7-15)9(12)13-10(16)14-11/h8H,3-7H2,1-2H3,(H3,12,13,14,16)
InChIKeyKSXFTPGXSBSEMC-UHFFFAOYSA-N
XLogP0.70
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
The IUPAC name of 4-amino-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one (CID 79960459) is 4-amino-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one.
What is the SMILES notation for 4-amino-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
The canonical SMILES for 4-amino-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one is CC(C)N1CCCC2(CC1)NC(=O)N=C2N.
What is the InChIKey of 4-amino-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
The InChIKey is KSXFTPGXSBSEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)15-6-3-4-11(5-7-15)9(12)13-10(16)14-11/h8H,3-7H2,1-2H3,(H3,12,13,14,16).
What are the key properties of 4-amino-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
4-amino-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one has a molecular weight of 224.31 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one is sourced from PubChem (CID 79960459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).