N-prop-2-enylmethanimidate

C4H6NO- — CID 20812349

IUPACN-prop-2-enylmethanimidate
SMILESC=CC/N=C/[O-]
InChIInChI=1S/C4H7NO/c1-2-3-5-4-6/h2,4H,1,3H2,(H,5,6)/p-1
InChIKeySHIGCAOWAAOWIG-UHFFFAOYSA-M
MW84.10 g/mol
LogP-0.44
Rot. Bonds2

About N-prop-2-enylmethanimidate

N-prop-2-enylmethanimidate (PubChem CID 20812349) has the molecular formula C4H6NO- and a molecular weight of 84.10 g/mol. Its IUPAC name is N-prop-2-enylmethanimidate.

Molecular Properties

Compound NameN-prop-2-enylmethanimidate
PubChem CID20812349
Molecular FormulaC4H6NO-
Molecular Weight84.10 g/mol
Exact Mass84.05
IUPAC NameN-prop-2-enylmethanimidate
SMILESC=CC/N=C/[O-]
InChIInChI=1S/C4H7NO/c1-2-3-5-4-6/h2,4H,1,3H2,(H,5,6)/p-1
InChIKeySHIGCAOWAAOWIG-UHFFFAOYSA-M
XLogP-0.44
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.10
LogP ≤ 5-0.44
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylmethanimidate?
The IUPAC name of N-prop-2-enylmethanimidate (CID 20812349) is N-prop-2-enylmethanimidate.
What is the SMILES notation for N-prop-2-enylmethanimidate?
The canonical SMILES for N-prop-2-enylmethanimidate is C=CC/N=C/[O-].
What is the InChIKey of N-prop-2-enylmethanimidate?
The InChIKey is SHIGCAOWAAOWIG-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7NO/c1-2-3-5-4-6/h2,4H,1,3H2,(H,5,6)/p-1.
What are the key properties of N-prop-2-enylmethanimidate?
N-prop-2-enylmethanimidate has a molecular weight of 84.10 g/mol, XLogP of -0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylmethanimidate is sourced from PubChem (CID 20812349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).