propan-2-yl (NZ)-N-propan-2-yloxycarbonyliminocarbamate

C8H14N2O4 — CID 56776520

IUPACpropan-2-yl (NZ)-N-propan-2-yloxycarbonyliminocarbamate
SMILESCC(C)OC(=O)/N=N\C(=O)OC(C)C
InChIInChI=1S/C8H14N2O4/c1-5(2)13-7(11)9-10-8(12)14-6(3)4/h5-6H,1-4H3/b10-9-
InChIKeyVVWRJUBEIPHGQF-KTKRTIGZSA-N
MW202.21 g/mol
LogP2.53
Rot. Bonds2

About propan-2-yl (NZ)-N-propan-2-yloxycarbonyliminocarbamate

propan-2-yl (NZ)-N-propan-2-yloxycarbonyliminocarbamate (PubChem CID 56776520) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is propan-2-yl (NZ)-N-propan-2-yloxycarbonyliminocarbamate.

Molecular Properties

Compound Namepropan-2-yl (NZ)-N-propan-2-yloxycarbonyliminocarbamate
PubChem CID56776520
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Namepropan-2-yl (NZ)-N-propan-2-yloxycarbonyliminocarbamate
SMILESCC(C)OC(=O)/N=N\C(=O)OC(C)C
InChIInChI=1S/C8H14N2O4/c1-5(2)13-7(11)9-10-8(12)14-6(3)4/h5-6H,1-4H3/b10-9-
InChIKeyVVWRJUBEIPHGQF-KTKRTIGZSA-N
XLogP2.53
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (NZ)-N-propan-2-yloxycarbonyliminocarbamate?
The IUPAC name of propan-2-yl (NZ)-N-propan-2-yloxycarbonyliminocarbamate (CID 56776520) is propan-2-yl (NZ)-N-propan-2-yloxycarbonyliminocarbamate.
What is the SMILES notation for propan-2-yl (NZ)-N-propan-2-yloxycarbonyliminocarbamate?
The canonical SMILES for propan-2-yl (NZ)-N-propan-2-yloxycarbonyliminocarbamate is CC(C)OC(=O)/N=N\C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (NZ)-N-propan-2-yloxycarbonyliminocarbamate?
The InChIKey is VVWRJUBEIPHGQF-KTKRTIGZSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-5(2)13-7(11)9-10-8(12)14-6(3)4/h5-6H,1-4H3/b10-9-.
What are the key properties of propan-2-yl (NZ)-N-propan-2-yloxycarbonyliminocarbamate?
propan-2-yl (NZ)-N-propan-2-yloxycarbonyliminocarbamate has a molecular weight of 202.21 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (NZ)-N-propan-2-yloxycarbonyliminocarbamate is sourced from PubChem (CID 56776520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).