methyl (1Z)-N-methoxycarbonylpropanimidate

C6H11NO3 — CID 13352858

IUPACmethyl (1Z)-N-methoxycarbonylpropanimidate
SMILESCC/C(=N/C(=O)OC)OC
InChIInChI=1S/C6H11NO3/c1-4-5(9-2)7-6(8)10-3/h4H2,1-3H3/b7-5-
InChIKeyQPADGIVXJAUWCC-ALCCZGGFSA-N
MW145.16 g/mol
LogP1.21
Rot. Bonds1

About methyl (1Z)-N-methoxycarbonylpropanimidate

methyl (1Z)-N-methoxycarbonylpropanimidate (PubChem CID 13352858) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl (1Z)-N-methoxycarbonylpropanimidate.

Molecular Properties

Compound Namemethyl (1Z)-N-methoxycarbonylpropanimidate
PubChem CID13352858
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl (1Z)-N-methoxycarbonylpropanimidate
SMILESCC/C(=N/C(=O)OC)OC
InChIInChI=1S/C6H11NO3/c1-4-5(9-2)7-6(8)10-3/h4H2,1-3H3/b7-5-
InChIKeyQPADGIVXJAUWCC-ALCCZGGFSA-N
XLogP1.21
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

propyl (1E)-N-methoxycarbonylethanimidate
CID 21350809
methyl N-propan-2-ylidenecarbamate
CID 57920466
methyl (1E)-N-methoxycarbonylethanimidate
CID 59961054
methyl N-methoxycarbonylethanimidate
CID 73694617
methyl N-methoxycarbonylethanimidate;vanadium
CID 161393286
hydroxy N-methoxycarbonylpropanimidate
CID 163433274
ethyl N-butan-2-ylidenecarbamate
CID 174248943
methyl (1Z)-N-methoxycarbonylethanimidate
CID 20670366
ethyl (E)-1-ethoxypropylidenecarbamate
CID 24972010
(1Z)-N-methoxycarbonylethanimidate
CID 54723605
propyl N-methoxycarbonylethanimidate
CID 73771342
ethyl N-ethoxycarbonylpropanimidate
CID 74377013

Frequently Asked Questions

What is the IUPAC name of methyl (1Z)-N-methoxycarbonylpropanimidate?
The IUPAC name of methyl (1Z)-N-methoxycarbonylpropanimidate (CID 13352858) is methyl (1Z)-N-methoxycarbonylpropanimidate.
What is the SMILES notation for methyl (1Z)-N-methoxycarbonylpropanimidate?
The canonical SMILES for methyl (1Z)-N-methoxycarbonylpropanimidate is CC/C(=N/C(=O)OC)OC.
What is the InChIKey of methyl (1Z)-N-methoxycarbonylpropanimidate?
The InChIKey is QPADGIVXJAUWCC-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4-5(9-2)7-6(8)10-3/h4H2,1-3H3/b7-5-.
What are the key properties of methyl (1Z)-N-methoxycarbonylpropanimidate?
methyl (1Z)-N-methoxycarbonylpropanimidate has a molecular weight of 145.16 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1Z)-N-methoxycarbonylpropanimidate is sourced from PubChem (CID 13352858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).