methyl (NZ)-N-ethylidene-N'-prop-1-en-2-ylcarbamimidate

C7H12N2O — CID 143594326

IUPACmethyl (NZ)-N-ethylidene-N'-prop-1-en-2-ylcarbamimidate
SMILESC=C(C)/N=C(/N=C\C)OC
InChIInChI=1S/C7H12N2O/c1-5-8-7(10-4)9-6(2)3/h5H,2H2,1,3-4H3/b8-5-,9-7-
InChIKeyAOWJQZGCIYQMHU-IOUWKBNPSA-N
MW140.19 g/mol
LogP1.61
Rot. Bonds1

About methyl (NZ)-N-ethylidene-N'-prop-1-en-2-ylcarbamimidate

methyl (NZ)-N-ethylidene-N'-prop-1-en-2-ylcarbamimidate (PubChem CID 143594326) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is methyl (NZ)-N-ethylidene-N'-prop-1-en-2-ylcarbamimidate.

Molecular Properties

Compound Namemethyl (NZ)-N-ethylidene-N'-prop-1-en-2-ylcarbamimidate
PubChem CID143594326
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Namemethyl (NZ)-N-ethylidene-N'-prop-1-en-2-ylcarbamimidate
SMILESC=C(C)/N=C(/N=C\C)OC
InChIInChI=1S/C7H12N2O/c1-5-8-7(10-4)9-6(2)3/h5H,2H2,1,3-4H3/b8-5-,9-7-
InChIKeyAOWJQZGCIYQMHU-IOUWKBNPSA-N
XLogP1.61
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (NZ)-N-ethylidene-N'-prop-1-en-2-ylcarbamimidate?
The IUPAC name of methyl (NZ)-N-ethylidene-N'-prop-1-en-2-ylcarbamimidate (CID 143594326) is methyl (NZ)-N-ethylidene-N'-prop-1-en-2-ylcarbamimidate.
What is the SMILES notation for methyl (NZ)-N-ethylidene-N'-prop-1-en-2-ylcarbamimidate?
The canonical SMILES for methyl (NZ)-N-ethylidene-N'-prop-1-en-2-ylcarbamimidate is C=C(C)/N=C(/N=C\C)OC.
What is the InChIKey of methyl (NZ)-N-ethylidene-N'-prop-1-en-2-ylcarbamimidate?
The InChIKey is AOWJQZGCIYQMHU-IOUWKBNPSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5-8-7(10-4)9-6(2)3/h5H,2H2,1,3-4H3/b8-5-,9-7-.
What are the key properties of methyl (NZ)-N-ethylidene-N'-prop-1-en-2-ylcarbamimidate?
methyl (NZ)-N-ethylidene-N'-prop-1-en-2-ylcarbamimidate has a molecular weight of 140.19 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (NZ)-N-ethylidene-N'-prop-1-en-2-ylcarbamimidate is sourced from PubChem (CID 143594326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).