cis-(1R,2S)-2-ethenylcyclobutane-1-carboxylic acid

C7H10O2 — CID 12721336

IUPACcis-(1R,2S)-2-ethenylcyclobutane-1-carboxylic acid
SMILESC=C[C@@H]1CC[C@H]1C(=O)O
InChIInChI=1S/C7H10O2/c1-2-5-3-4-6(5)7(8)9/h2,5-6H,1,3-4H2,(H,8,9)/t5-,6-/m1/s1
InChIKeyZMPDMVMEGRLDBH-PHDIDXHHSA-N
MW126.16 g/mol
LogP1.28
Rot. Bonds2

About cis-(1R,2S)-2-ethenylcyclobutane-1-carboxylic acid

cis-(1R,2S)-2-ethenylcyclobutane-1-carboxylic acid (PubChem CID 12721336) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is cis-(1R,2S)-2-ethenylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-ethenylcyclobutane-1-carboxylic acid
PubChem CID12721336
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Namecis-(1R,2S)-2-ethenylcyclobutane-1-carboxylic acid
SMILESC=C[C@@H]1CC[C@H]1C(=O)O
InChIInChI=1S/C7H10O2/c1-2-5-3-4-6(5)7(8)9/h2,5-6H,1,3-4H2,(H,8,9)/t5-,6-/m1/s1
InChIKeyZMPDMVMEGRLDBH-PHDIDXHHSA-N
XLogP1.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
cis-(1R,3S)-3-ethenylcyclopentane-1-carboxylic acid
CID 11240528
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
2-(4-ethenylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120977278
2-ethenylcyclopropane-1-carboxylic acid;2-sulfanylpropan-2-yl carbamate
CID 142833720
2-chloro-1-(2-ethenylcyclohexyl)ethanone
CID 12579604
2-(prop-2-enylamino)cyclopropane-1-carboxylic acid
CID 117027592
carbonic acid;methyl 2-ethenylcyclopropane-1-carboxylate
CID 66957945
8-ethenyl-5-methylidene-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalene-2-carboxylic acid
CID 71435171
2-ethenyl-5-methylcyclohexan-1-ol
CID 58534305
(2S,3S)-2-ethenyloxane-3-carboxylic acid
CID 124710311
methyl (1R)-2-ethenylcyclopropane-1-carboxylate
CID 175542907

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-ethenylcyclobutane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-ethenylcyclobutane-1-carboxylic acid (CID 12721336) is cis-(1R,2S)-2-ethenylcyclobutane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-ethenylcyclobutane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-ethenylcyclobutane-1-carboxylic acid is C=C[C@@H]1CC[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-ethenylcyclobutane-1-carboxylic acid?
The InChIKey is ZMPDMVMEGRLDBH-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H10O2/c1-2-5-3-4-6(5)7(8)9/h2,5-6H,1,3-4H2,(H,8,9)/t5-,6-/m1/s1.
What are the key properties of cis-(1R,2S)-2-ethenylcyclobutane-1-carboxylic acid?
cis-(1R,2S)-2-ethenylcyclobutane-1-carboxylic acid has a molecular weight of 126.16 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-ethenylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 12721336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).