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

C9H10O2 — CID 68617991

IUPAC2-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid
SMILESO=C(O)C=C1C[C@H]2CC=C[C@H]12
InChIInChI=1S/C9H10O2/c10-9(11)5-7-4-6-2-1-3-8(6)7/h1,3,5-6,8H,2,4H2,(H,10,11)/t6-,8+/m1/s1
InChIKeyXRVJTMZPIYDPFO-SVRRBLITSA-N
MW150.18 g/mol
LogP1.59
Rot. Bonds1

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

2-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid (PubChem CID 68617991) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid.

Molecular Properties

Compound Name2-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid
PubChem CID68617991
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid
SMILESO=C(O)C=C1C[C@H]2CC=C[C@H]12
InChIInChI=1S/C9H10O2/c10-9(11)5-7-4-6-2-1-3-8(6)7/h1,3,5-6,8H,2,4H2,(H,10,11)/t6-,8+/m1/s1
InChIKeyXRVJTMZPIYDPFO-SVRRBLITSA-N
XLogP1.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.59
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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Related Compounds

(2Z)-2-[(1R,5R)-6-bicyclo[3.2.0]heptanylidene]acetic acid
CID 45098319
3-(4-Methylcyclohex-3-enyl)prop-2-enoic acid
CID 5365778
(2E)-2-(2-prop-2-enylcyclopentylidene)acetic acid
CID 14022101
4-Cyclopentylbut-2-enoic acid
CID 21224360
(2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetic acid
CID 22223309
(2Z)-2-(6-bicyclo[3.2.0]heptanylidene)acetic acid
CID 22223310
(E)-3-cyclopentylbut-2-enoic acid
CID 23230545
3-(2-Bicyclo[2.2.1]hept-3-enyl)prop-2-enoic acid
CID 53791040
CID 54175705
CID 54175705
(2E)-2-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]acetic acid
CID 58606987
(2E)-2-[(1R,5R)-6-bicyclo[3.2.0]heptanylidene]acetic acid
CID 58606993
3,3-dimethyl-2-[(1R,5R)-7-methyl-6-bicyclo[3.2.0]hept-3-enylidene]butanoic acid
CID 67197327

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid?
The IUPAC name of 2-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid (CID 68617991) is 2-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid.
What is the SMILES notation for 2-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid?
The canonical SMILES for 2-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid is O=C(O)C=C1C[C@H]2CC=C[C@H]12.
What is the InChIKey of 2-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid?
The InChIKey is XRVJTMZPIYDPFO-SVRRBLITSA-N. The full InChI is InChI=1S/C9H10O2/c10-9(11)5-7-4-6-2-1-3-8(6)7/h1,3,5-6,8H,2,4H2,(H,10,11)/t6-,8+/m1/s1.
What are the key properties of 2-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid?
2-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid has a molecular weight of 150.18 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid is sourced from PubChem (CID 68617991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).