cyclopropylmethyl (E)-but-2-enoate

C8H12O2 — CID 15625753

IUPACcyclopropylmethyl (E)-but-2-enoate
SMILESC/C=C/C(=O)OCC1CC1
InChIInChI=1S/C8H12O2/c1-2-3-8(9)10-6-7-4-5-7/h2-3,7H,4-6H2,1H3/b3-2+
InChIKeyPOPIMUVUDFYXSN-NSCUHMNNSA-N
MW140.18 g/mol
LogP1.52
Rot. Bonds3

About cyclopropylmethyl (E)-but-2-enoate

cyclopropylmethyl (E)-but-2-enoate (PubChem CID 15625753) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is cyclopropylmethyl (E)-but-2-enoate.

Molecular Properties

Compound Namecyclopropylmethyl (E)-but-2-enoate
PubChem CID15625753
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namecyclopropylmethyl (E)-but-2-enoate
SMILESC/C=C/C(=O)OCC1CC1
InChIInChI=1S/C8H12O2/c1-2-3-8(9)10-6-7-4-5-7/h2-3,7H,4-6H2,1H3/b3-2+
InChIKeyPOPIMUVUDFYXSN-NSCUHMNNSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(3-carboxyprop-2-enoyloxymethyl)cyclohexyl]methoxy]-4-oxobut-2-enoic acid
CID 91371568
4-O-[[4-(methoxycarbonyloxymethyl)cyclohexyl]methyl] 1-O-propyl but-2-enedioate
CID 118908468
cyclopropylmethyl acetate
CID 538333
cyclopropylmethyl 3,4,4-trimethylpent-2-enoate
CID 123744189
[4-(hydroxymethyl)cyclohexyl]methyl 2-oxoacetate
CID 118444005
ethyl (E)-but-2-enoate;methanamine
CID 88817268
(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphetan-4-yl)methyl but-2-enoate
CID 150935424
4-O-(cyclopentylmethyl) 1-O-nonyl (E)-but-2-enedioate
CID 91697871
cyclopropylmethyl (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6232790
[amino(cyclopropylmethoxy)methylidene]azanium
CID 102073114
2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol
CID 87089825
[3-[(Z)-but-2-enoyl]oxy-2-[[(Z)-but-2-enoyl]oxymethyl]propyl] (Z)-but-2-enoate
CID 101312278

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl (E)-but-2-enoate?
The IUPAC name of cyclopropylmethyl (E)-but-2-enoate (CID 15625753) is cyclopropylmethyl (E)-but-2-enoate.
What is the SMILES notation for cyclopropylmethyl (E)-but-2-enoate?
The canonical SMILES for cyclopropylmethyl (E)-but-2-enoate is C/C=C/C(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl (E)-but-2-enoate?
The InChIKey is POPIMUVUDFYXSN-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-3-8(9)10-6-7-4-5-7/h2-3,7H,4-6H2,1H3/b3-2+.
What are the key properties of cyclopropylmethyl (E)-but-2-enoate?
cyclopropylmethyl (E)-but-2-enoate has a molecular weight of 140.18 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl (E)-but-2-enoate is sourced from PubChem (CID 15625753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).