methyl 2-propan-2-yloxybut-2-enimidate

C8H15NO2 — CID 123744792

IUPACmethyl 2-propan-2-yloxybut-2-enimidate
SMILES[H]/N=C(\OC)C(=CC)OC(C)C
InChIInChI=1S/C8H15NO2/c1-5-7(8(9)10-4)11-6(2)3/h5-6,9H,1-4H3/b7-5?,9-8-
InChIKeyFKRWMVSKXHKDGD-RLDRTREZSA-N
MW157.21 g/mol
LogP1.94
Rot. Bonds3

About methyl 2-propan-2-yloxybut-2-enimidate

methyl 2-propan-2-yloxybut-2-enimidate (PubChem CID 123744792) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 2-propan-2-yloxybut-2-enimidate.

Molecular Properties

Compound Namemethyl 2-propan-2-yloxybut-2-enimidate
PubChem CID123744792
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 2-propan-2-yloxybut-2-enimidate
SMILES[H]/N=C(\OC)C(=CC)OC(C)C
InChIInChI=1S/C8H15NO2/c1-5-7(8(9)10-4)11-6(2)3/h5-6,9H,1-4H3/b7-5?,9-8-
InChIKeyFKRWMVSKXHKDGD-RLDRTREZSA-N
XLogP1.94
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-chloro-2-oxoethanimidate
CID 88665877
methyl 2-(methylamino)-2-oxoethanimidate
CID 19391257
propan-2-yl 2-imino-3-methylbutanoate
CID 90949713
pentan-3-yl (Z)-2-methylbut-2-enimidate
CID 146647586
(Z)-but-2-enedioic acid;(Z)-2-propan-2-yloxybut-2-enamide
CID 155368207
ethenyl 2-propan-2-ylbut-2-enimidate
CID 123659840
butyl 2-imino-2-propan-2-yloxyacetate;hydrochloride
CID 11333560
(2R)-2-methoxypropanimidamide
CID 11768515
methyl (2S)-2-amino-3-methylbutanimidate
CID 134918429
propan-2-yl 3-imino-2-(trifluoromethyl)butanoate
CID 54144597
propan-2-yl (E)-2-prop-2-enoxybut-2-enoate
CID 25228919
propan-2-yl 2-(difluoromethyl)-2-ethylbutanoate
CID 118087278

Frequently Asked Questions

What is the IUPAC name of methyl 2-propan-2-yloxybut-2-enimidate?
The IUPAC name of methyl 2-propan-2-yloxybut-2-enimidate (CID 123744792) is methyl 2-propan-2-yloxybut-2-enimidate.
What is the SMILES notation for methyl 2-propan-2-yloxybut-2-enimidate?
The canonical SMILES for methyl 2-propan-2-yloxybut-2-enimidate is [H]/N=C(\OC)C(=CC)OC(C)C.
What is the InChIKey of methyl 2-propan-2-yloxybut-2-enimidate?
The InChIKey is FKRWMVSKXHKDGD-RLDRTREZSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-7(8(9)10-4)11-6(2)3/h5-6,9H,1-4H3/b7-5?,9-8-.
What are the key properties of methyl 2-propan-2-yloxybut-2-enimidate?
methyl 2-propan-2-yloxybut-2-enimidate has a molecular weight of 157.21 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-propan-2-yloxybut-2-enimidate is sourced from PubChem (CID 123744792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).