methyl propanimidate

C4H9NO — CID 10855375

IUPACmethyl propanimidate
SMILES[H]/N=C(\CC)OC
InChIInChI=1S/C4H9NO/c1-3-4(5)6-2/h5H,3H2,1-2H3/b5-4+
InChIKeyPNVXTVKZTGTFIL-SNAWJCMRSA-N
MW87.12 g/mol
LogP1.02
Rot. Bonds1

About methyl propanimidate

methyl propanimidate (PubChem CID 10855375) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is methyl propanimidate.

Molecular Properties

Compound Namemethyl propanimidate
PubChem CID10855375
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Namemethyl propanimidate
SMILES[H]/N=C(\CC)OC
InChIInChI=1S/C4H9NO/c1-3-4(5)6-2/h5H,3H2,1-2H3/b5-4+
InChIKeyPNVXTVKZTGTFIL-SNAWJCMRSA-N
XLogP1.02
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 51.02
H-Bond Donors ≤ 51
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 propanimidate?
The IUPAC name of methyl propanimidate (CID 10855375) is methyl propanimidate.
What is the SMILES notation for methyl propanimidate?
The canonical SMILES for methyl propanimidate is [H]/N=C(\CC)OC.
What is the InChIKey of methyl propanimidate?
The InChIKey is PNVXTVKZTGTFIL-SNAWJCMRSA-N. The full InChI is InChI=1S/C4H9NO/c1-3-4(5)6-2/h5H,3H2,1-2H3/b5-4+.
What are the key properties of methyl propanimidate?
methyl propanimidate has a molecular weight of 87.12 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl propanimidate is sourced from PubChem (CID 10855375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).