methyl N-prop-1-en-2-ylmethanimidate

C5H9NO — CID 123155048

IUPACmethyl N-prop-1-en-2-ylmethanimidate
SMILESC=C(C)/N=C/OC
InChIInChI=1S/C5H9NO/c1-5(2)6-4-7-3/h4H,1H2,2-3H3/b6-4+
InChIKeyARFRAUVZSABPJO-GQCTYLIASA-N
MW99.13 g/mol
LogP1.19
Rot. Bonds2

About methyl N-prop-1-en-2-ylmethanimidate

methyl N-prop-1-en-2-ylmethanimidate (PubChem CID 123155048) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is methyl N-prop-1-en-2-ylmethanimidate.

Molecular Properties

Compound Namemethyl N-prop-1-en-2-ylmethanimidate
PubChem CID123155048
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Namemethyl N-prop-1-en-2-ylmethanimidate
SMILESC=C(C)/N=C/OC
InChIInChI=1S/C5H9NO/c1-5(2)6-4-7-3/h4H,1H2,2-3H3/b6-4+
InChIKeyARFRAUVZSABPJO-GQCTYLIASA-N
XLogP1.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 51.19
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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Related Compounds

ethyl N-prop-1-en-2-ylmethanimidate
CID 13678294
N-(1-propoxyprop-1-en-2-yl)methanimine
CID 90904514
amino N-prop-1-en-2-ylmethanimidate
CID 138459555
methyl N-pent-1-en-2-ylmethanimidate
CID 142062970
methyl N-buta-1,3-dien-2-ylmethanimidate
CID 142084338
N-[(Z)-1-methoxyprop-1-en-2-yl]methanimine
CID 142116090
ethane;N-prop-1-en-2-ylmethanimine
CID 143922364
methyl N-methylidene-N'-prop-1-en-2-ylcarbamimidate
CID 144746644
ethane;methyl N-prop-1-en-2-ylmethanimidate
CID 145045468
methyl N-[(2Z)-penta-2,4-dien-2-yl]methanimidate
CID 163838619
CID 168893422
CID 168893422
methyl N-(3-methylbut-1-en-2-yl)methanimidate
CID 172356683

Frequently Asked Questions

What is the IUPAC name of methyl N-prop-1-en-2-ylmethanimidate?
The IUPAC name of methyl N-prop-1-en-2-ylmethanimidate (CID 123155048) is methyl N-prop-1-en-2-ylmethanimidate.
What is the SMILES notation for methyl N-prop-1-en-2-ylmethanimidate?
The canonical SMILES for methyl N-prop-1-en-2-ylmethanimidate is C=C(C)/N=C/OC.
What is the InChIKey of methyl N-prop-1-en-2-ylmethanimidate?
The InChIKey is ARFRAUVZSABPJO-GQCTYLIASA-N. The full InChI is InChI=1S/C5H9NO/c1-5(2)6-4-7-3/h4H,1H2,2-3H3/b6-4+.
What are the key properties of methyl N-prop-1-en-2-ylmethanimidate?
methyl N-prop-1-en-2-ylmethanimidate has a molecular weight of 99.13 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-prop-1-en-2-ylmethanimidate is sourced from PubChem (CID 123155048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).