ethenyl 2-propan-2-ylbut-2-enimidate

C9H15NO — CID 123659840

IUPACethenyl 2-propan-2-ylbut-2-enimidate
SMILES[H]/N=C(\OC=C)C(=CC)C(C)C
InChIInChI=1S/C9H15NO/c1-5-8(7(3)4)9(10)11-6-2/h5-7,10H,2H2,1,3-4H3/b8-5?,10-9-
InChIKeyBZTPWATXLFYGRD-RRSMLVESSA-N
MW153.22 g/mol
LogP2.73
Rot. Bonds3

About ethenyl 2-propan-2-ylbut-2-enimidate

ethenyl 2-propan-2-ylbut-2-enimidate (PubChem CID 123659840) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is ethenyl 2-propan-2-ylbut-2-enimidate.

Molecular Properties

Compound Nameethenyl 2-propan-2-ylbut-2-enimidate
PubChem CID123659840
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Nameethenyl 2-propan-2-ylbut-2-enimidate
SMILES[H]/N=C(\OC=C)C(=CC)C(C)C
InChIInChI=1S/C9H15NO/c1-5-8(7(3)4)9(10)11-6-2/h5-7,10H,2H2,1,3-4H3/b8-5?,10-9-
InChIKeyBZTPWATXLFYGRD-RRSMLVESSA-N
XLogP2.73
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-ethenoxy-2-methylhex-4-en-3-one
CID 90754214
ethenoxyethene;prop-1-ene
CID 22912569
(3E,5Z)-5-methoxy-4-propan-2-ylhepta-1,3,5-triene
CID 126634449
methyl 2-propan-2-yloxybut-2-enimidate
CID 123744792
3-methylbutan-2-imine
CID 20811318
(2Z)-2-(aminomethylidene)-3-methylbutanimidamide
CID 136607996
(Z)-2-(1-hydroxyethyl)but-2-enimidoyl chloride
CID 123995117
(3E,5Z)-4-ethoxy-5-propan-2-ylhepta-1,3,5-triene
CID 144527546
O-ethenyl 2-hydroxypropanethioate
CID 154156558
(Z)-2-ethenoxybut-2-enoic acid
CID 142329685
ethenyl 2-aminopropanoate
CID 23374910
(3E,5Z)-2,4-difluoro-5-propan-2-ylhepta-1,3,5-triene
CID 89217781

Frequently Asked Questions

What is the IUPAC name of ethenyl 2-propan-2-ylbut-2-enimidate?
The IUPAC name of ethenyl 2-propan-2-ylbut-2-enimidate (CID 123659840) is ethenyl 2-propan-2-ylbut-2-enimidate.
What is the SMILES notation for ethenyl 2-propan-2-ylbut-2-enimidate?
The canonical SMILES for ethenyl 2-propan-2-ylbut-2-enimidate is [H]/N=C(\OC=C)C(=CC)C(C)C.
What is the InChIKey of ethenyl 2-propan-2-ylbut-2-enimidate?
The InChIKey is BZTPWATXLFYGRD-RRSMLVESSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-8(7(3)4)9(10)11-6-2/h5-7,10H,2H2,1,3-4H3/b8-5?,10-9-.
What are the key properties of ethenyl 2-propan-2-ylbut-2-enimidate?
ethenyl 2-propan-2-ylbut-2-enimidate has a molecular weight of 153.22 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-propan-2-ylbut-2-enimidate is sourced from PubChem (CID 123659840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).