(2Z)-2-[(1S,5R)-5-methyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid

C10H12O2 — CID 68617287

IUPAC(2Z)-2-[(1S,5R)-5-methyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid
SMILESC[C@]12C=CC[C@H]1C/C2=C/C(=O)O
InChIInChI=1S/C10H12O2/c1-10-4-2-3-7(10)5-8(10)6-9(11)12/h2,4,6-7H,3,5H2,1H3,(H,11,12)/b8-6-/t7-,10-/m0/s1
InChIKeyVWOJIIROTCUJNE-CNDLSXPLSA-N
MW164.20 g/mol
LogP1.98
Rot. Bonds1

About (2Z)-2-[(1S,5R)-5-methyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid

(2Z)-2-[(1S,5R)-5-methyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid (PubChem CID 68617287) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (2Z)-2-[(1S,5R)-5-methyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid.

Molecular Properties

Compound Name(2Z)-2-[(1S,5R)-5-methyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid
PubChem CID68617287
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(2Z)-2-[(1S,5R)-5-methyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid
SMILESC[C@]12C=CC[C@H]1C/C2=C/C(=O)O
InChIInChI=1S/C10H12O2/c1-10-4-2-3-7(10)5-8(10)6-9(11)12/h2,4,6-7H,3,5H2,1H3,(H,11,12)/b8-6-/t7-,10-/m0/s1
InChIKeyVWOJIIROTCUJNE-CNDLSXPLSA-N
XLogP1.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(1S,5R)-5-methyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid?
The IUPAC name of (2Z)-2-[(1S,5R)-5-methyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid (CID 68617287) is (2Z)-2-[(1S,5R)-5-methyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid.
What is the SMILES notation for (2Z)-2-[(1S,5R)-5-methyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid?
The canonical SMILES for (2Z)-2-[(1S,5R)-5-methyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid is C[C@]12C=CC[C@H]1C/C2=C/C(=O)O.
What is the InChIKey of (2Z)-2-[(1S,5R)-5-methyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid?
The InChIKey is VWOJIIROTCUJNE-CNDLSXPLSA-N. The full InChI is InChI=1S/C10H12O2/c1-10-4-2-3-7(10)5-8(10)6-9(11)12/h2,4,6-7H,3,5H2,1H3,(H,11,12)/b8-6-/t7-,10-/m0/s1.
What are the key properties of (2Z)-2-[(1S,5R)-5-methyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid?
(2Z)-2-[(1S,5R)-5-methyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid has a molecular weight of 164.20 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(1S,5R)-5-methyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid is sourced from PubChem (CID 68617287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).