propan-2-yloxycarbonyliminocarbamoyl N-ethylmethanimidate

C8H13N3O4 — CID 58758918

IUPACpropan-2-yloxycarbonyliminocarbamoyl N-ethylmethanimidate
SMILESCC/N=C/OC(=O)N=NC(=O)OC(C)C
InChIInChI=1S/C8H13N3O4/c1-4-9-5-14-7(12)10-11-8(13)15-6(2)3/h5-6H,4H2,1-3H3/b9-5+,11-10?
InChIKeyDRXYXVIRATXJPG-NEYIVAKUSA-N
MW215.21 g/mol
LogP2.17
Rot. Bonds3

About propan-2-yloxycarbonyliminocarbamoyl N-ethylmethanimidate

propan-2-yloxycarbonyliminocarbamoyl N-ethylmethanimidate (PubChem CID 58758918) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is propan-2-yloxycarbonyliminocarbamoyl N-ethylmethanimidate.

Molecular Properties

Compound Namepropan-2-yloxycarbonyliminocarbamoyl N-ethylmethanimidate
PubChem CID58758918
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Namepropan-2-yloxycarbonyliminocarbamoyl N-ethylmethanimidate
SMILESCC/N=C/OC(=O)N=NC(=O)OC(C)C
InChIInChI=1S/C8H13N3O4/c1-4-9-5-14-7(12)10-11-8(13)15-6(2)3/h5-6H,4H2,1-3H3/b9-5+,11-10?
InChIKeyDRXYXVIRATXJPG-NEYIVAKUSA-N
XLogP2.17
TPSA89.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl N-propan-2-yloxycarbonyliminocarbamate;hydrobromide
CID 174566980
benzene;propan-2-yl N-propan-2-yloxycarbonyliminocarbamate
CID 174619153
propan-2-yl N-pentoxycarbonyliminocarbamate
CID 140646431
propan-2-yl N-(propan-2-yloxymethylimino)carbamate
CID 174008951
propane;propan-2-yl acetate
CID 23325886
[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
CID 173085312
butane;dipropan-2-yl (E)-but-2-enedioate
CID 90185025
propan-2-yl acetate;hydrochloride
CID 87336432
2-O-butan-2-yl 1-O-ethenyl oxalate
CID 152731747
propan-2-one;propan-2-yl propanoate
CID 161266557
2-methylpropyl N-ethoxycarbonyliminocarbamate
CID 140646450
propan-2-yl 2-isocyanatopent-2-enoate
CID 54127888

Frequently Asked Questions

What is the IUPAC name of propan-2-yloxycarbonyliminocarbamoyl N-ethylmethanimidate?
The IUPAC name of propan-2-yloxycarbonyliminocarbamoyl N-ethylmethanimidate (CID 58758918) is propan-2-yloxycarbonyliminocarbamoyl N-ethylmethanimidate.
What is the SMILES notation for propan-2-yloxycarbonyliminocarbamoyl N-ethylmethanimidate?
The canonical SMILES for propan-2-yloxycarbonyliminocarbamoyl N-ethylmethanimidate is CC/N=C/OC(=O)N=NC(=O)OC(C)C.
What is the InChIKey of propan-2-yloxycarbonyliminocarbamoyl N-ethylmethanimidate?
The InChIKey is DRXYXVIRATXJPG-NEYIVAKUSA-N. The full InChI is InChI=1S/C8H13N3O4/c1-4-9-5-14-7(12)10-11-8(13)15-6(2)3/h5-6H,4H2,1-3H3/b9-5+,11-10?.
What are the key properties of propan-2-yloxycarbonyliminocarbamoyl N-ethylmethanimidate?
propan-2-yloxycarbonyliminocarbamoyl N-ethylmethanimidate has a molecular weight of 215.21 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yloxycarbonyliminocarbamoyl N-ethylmethanimidate is sourced from PubChem (CID 58758918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).