tert-butyl N-[1-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)ethyl]carbamate;rubidium(1+)

C9H15N4O2Rb — CID 168917075

IUPACtert-butyl N-[1-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)ethyl]carbamate;rubidium(1+)
SMILESCC(NC(=O)OC(C)(C)C)c1ncn[n-]1.[Rb+]
InChIInChI=1S/C9H16N4O2.Rb/c1-6(7-10-5-11-13-7)12-8(14)15-9(2,3)4;/h5-6H,1-4H3,(H2,10,11,12,13,14);/q;+1/p-1
InChIKeyHBKPRYDPXJMEIK-UHFFFAOYSA-M
MW296.71 g/mol
LogP-1.98
Rot. Bonds2

About tert-butyl N-[1-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)ethyl]carbamate;rubidium(1+)

tert-butyl N-[1-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)ethyl]carbamate;rubidium(1+) (PubChem CID 168917075) has the molecular formula C9H15N4O2Rb and a molecular weight of 296.71 g/mol. Its IUPAC name is tert-butyl N-[1-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)ethyl]carbamate;rubidium(1+).

Molecular Properties

Compound Nametert-butyl N-[1-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)ethyl]carbamate;rubidium(1+)
PubChem CID168917075
Molecular FormulaC9H15N4O2Rb
Molecular Weight296.71 g/mol
Exact Mass296.03
IUPAC Nametert-butyl N-[1-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)ethyl]carbamate;rubidium(1+)
SMILESCC(NC(=O)OC(C)(C)C)c1ncn[n-]1.[Rb+]
InChIInChI=1S/C9H16N4O2.Rb/c1-6(7-10-5-11-13-7)12-8(14)15-9(2,3)4;/h5-6H,1-4H3,(H2,10,11,12,13,14);/q;+1/p-1
InChIKeyHBKPRYDPXJMEIK-UHFFFAOYSA-M
XLogP-1.98
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 5-1.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)ethyl]carbamate;rubidium(1+)?
The IUPAC name of tert-butyl N-[1-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)ethyl]carbamate;rubidium(1+) (CID 168917075) is tert-butyl N-[1-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)ethyl]carbamate;rubidium(1+).
What is the SMILES notation for tert-butyl N-[1-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)ethyl]carbamate;rubidium(1+)?
The canonical SMILES for tert-butyl N-[1-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)ethyl]carbamate;rubidium(1+) is CC(NC(=O)OC(C)(C)C)c1ncn[n-]1.[Rb+].
What is the InChIKey of tert-butyl N-[1-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)ethyl]carbamate;rubidium(1+)?
The InChIKey is HBKPRYDPXJMEIK-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H16N4O2.Rb/c1-6(7-10-5-11-13-7)12-8(14)15-9(2,3)4;/h5-6H,1-4H3,(H2,10,11,12,13,14);/q;+1/p-1.
What are the key properties of tert-butyl N-[1-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)ethyl]carbamate;rubidium(1+)?
tert-butyl N-[1-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)ethyl]carbamate;rubidium(1+) has a molecular weight of 296.71 g/mol, XLogP of -1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)ethyl]carbamate;rubidium(1+) is sourced from PubChem (CID 168917075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).