methyl N-pent-1-en-2-ylmethanimidate

C7H13NO — CID 142062970

IUPACmethyl N-pent-1-en-2-ylmethanimidate
SMILESC=C(CCC)/N=C/OC
InChIInChI=1S/C7H13NO/c1-4-5-7(2)8-6-9-3/h6H,2,4-5H2,1,3H3/b8-6+
InChIKeyADBHIKXCCLKOAP-SOFGYWHQSA-N
MW127.19 g/mol
LogP1.97
Rot. Bonds4

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

methyl N-pent-1-en-2-ylmethanimidate (PubChem CID 142062970) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is methyl N-pent-1-en-2-ylmethanimidate.

Molecular Properties

Compound Namemethyl N-pent-1-en-2-ylmethanimidate
PubChem CID142062970
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Namemethyl N-pent-1-en-2-ylmethanimidate
SMILESC=C(CCC)/N=C/OC
InChIInChI=1S/C7H13NO/c1-4-5-7(2)8-6-9-3/h6H,2,4-5H2,1,3H3/b8-6+
InChIKeyADBHIKXCCLKOAP-SOFGYWHQSA-N
XLogP1.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.97
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

methyl N-prop-1-en-2-ylmethanimidate
CID 123155048
N-pent-1-en-2-ylmethanimine
CID 141885947
ethane;methyl N-pent-1-en-2-ylmethanimidate
CID 142062969
ethane;methyl N-prop-1-en-2-ylmethanimidate
CID 145045468
methyl N-(3-methylbut-1-en-2-yl)methanimidate
CID 172356683

Frequently Asked Questions

What is the IUPAC name of methyl N-pent-1-en-2-ylmethanimidate?
The IUPAC name of methyl N-pent-1-en-2-ylmethanimidate (CID 142062970) is methyl N-pent-1-en-2-ylmethanimidate.
What is the SMILES notation for methyl N-pent-1-en-2-ylmethanimidate?
The canonical SMILES for methyl N-pent-1-en-2-ylmethanimidate is C=C(CCC)/N=C/OC.
What is the InChIKey of methyl N-pent-1-en-2-ylmethanimidate?
The InChIKey is ADBHIKXCCLKOAP-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5-7(2)8-6-9-3/h6H,2,4-5H2,1,3H3/b8-6+.
What are the key properties of methyl N-pent-1-en-2-ylmethanimidate?
methyl N-pent-1-en-2-ylmethanimidate has a molecular weight of 127.19 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-pent-1-en-2-ylmethanimidate is sourced from PubChem (CID 142062970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).