tert-butyl N-(4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)carbamate

C15H26N4O3 — CID 118994116

IUPACtert-butyl N-(4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)carbamate
SMILESCC(C)N1C(=O)C2(CCNCC2)N=C1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N4O3/c1-10(2)19-11(20)15(6-8-16-9-7-15)18-12(19)17-13(21)22-14(3,4)5/h10,16H,6-9H2,1-5H3,(H,17,18,21)
InChIKeyPVSHWXIZQNPTNZ-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.24
Rot. Bonds1

About tert-butyl N-(4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)carbamate

tert-butyl N-(4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)carbamate (PubChem CID 118994116) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl N-(4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)carbamate
PubChem CID118994116
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Nametert-butyl N-(4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)carbamate
SMILESCC(C)N1C(=O)C2(CCNCC2)N=C1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N4O3/c1-10(2)19-11(20)15(6-8-16-9-7-15)18-12(19)17-13(21)22-14(3,4)5/h10,16H,6-9H2,1-5H3,(H,17,18,21)
InChIKeyPVSHWXIZQNPTNZ-UHFFFAOYSA-N
XLogP1.24
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-(4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)carbamate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)carbamate (CID 118994116) is tert-butyl N-(4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)carbamate is CC(C)N1C(=O)C2(CCNCC2)N=C1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)carbamate?
The InChIKey is PVSHWXIZQNPTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-10(2)19-11(20)15(6-8-16-9-7-15)18-12(19)17-13(21)22-14(3,4)5/h10,16H,6-9H2,1-5H3,(H,17,18,21).
What are the key properties of tert-butyl N-(4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)carbamate?
tert-butyl N-(4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)carbamate has a molecular weight of 310.40 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)carbamate is sourced from PubChem (CID 118994116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).