5-(6-phenyl-2-bicyclo[2.2.1]heptanylidene)pentanoic acid

C18H22O2 — CID 174780810

IUPAC5-(6-phenyl-2-bicyclo[2.2.1]heptanylidene)pentanoic acid
SMILESO=C(O)CCCC=C1CC2CC1C(c1ccccc1)C2
InChIInChI=1S/C18H22O2/c19-18(20)9-5-4-8-15-10-13-11-16(17(15)12-13)14-6-2-1-3-7-14/h1-3,6-8,13,16-17H,4-5,9-12H2,(H,19,20)
InChIKeyGQKGZANBTMAWKI-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.38
Rot. Bonds5

About 5-(6-phenyl-2-bicyclo[2.2.1]heptanylidene)pentanoic acid

5-(6-phenyl-2-bicyclo[2.2.1]heptanylidene)pentanoic acid (PubChem CID 174780810) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 5-(6-phenyl-2-bicyclo[2.2.1]heptanylidene)pentanoic acid.

Molecular Properties

Compound Name5-(6-phenyl-2-bicyclo[2.2.1]heptanylidene)pentanoic acid
PubChem CID174780810
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name5-(6-phenyl-2-bicyclo[2.2.1]heptanylidene)pentanoic acid
SMILESO=C(O)CCCC=C1CC2CC1C(c1ccccc1)C2
InChIInChI=1S/C18H22O2/c19-18(20)9-5-4-8-15-10-13-11-16(17(15)12-13)14-6-2-1-3-7-14/h1-3,6-8,13,16-17H,4-5,9-12H2,(H,19,20)
InChIKeyGQKGZANBTMAWKI-UHFFFAOYSA-N
XLogP4.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-ethylidene-6-phenylbicyclo[2.2.1]heptane
CID 14490424
1-(2-phenylcyclopropyl)hex-5-en-1-one
CID 114974761
3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid
CID 124603501
4-[(2,5-dimethyl-3-phenylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 122021925
4-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoylamino]butanoic acid
CID 122015490
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
4-[(1R,2R)-2-phenylcyclopropyl]benzohydrazide
CID 1386818
4-(2-phenylcyclopropyl)benzohydrazide
CID 4594491
4-[(1S,2R)-2-phenylcyclopropyl]benzohydrazide
CID 910989
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
4-[(1R,2S)-2-phenylcyclopropyl]benzoic acid
CID 138543180
4-(2-phenylcyclopropyl)benzohydrazide;hydrochloride
CID 44657658

Frequently Asked Questions

What is the IUPAC name of 5-(6-phenyl-2-bicyclo[2.2.1]heptanylidene)pentanoic acid?
The IUPAC name of 5-(6-phenyl-2-bicyclo[2.2.1]heptanylidene)pentanoic acid (CID 174780810) is 5-(6-phenyl-2-bicyclo[2.2.1]heptanylidene)pentanoic acid.
What is the SMILES notation for 5-(6-phenyl-2-bicyclo[2.2.1]heptanylidene)pentanoic acid?
The canonical SMILES for 5-(6-phenyl-2-bicyclo[2.2.1]heptanylidene)pentanoic acid is O=C(O)CCCC=C1CC2CC1C(c1ccccc1)C2.
What is the InChIKey of 5-(6-phenyl-2-bicyclo[2.2.1]heptanylidene)pentanoic acid?
The InChIKey is GQKGZANBTMAWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c19-18(20)9-5-4-8-15-10-13-11-16(17(15)12-13)14-6-2-1-3-7-14/h1-3,6-8,13,16-17H,4-5,9-12H2,(H,19,20).
What are the key properties of 5-(6-phenyl-2-bicyclo[2.2.1]heptanylidene)pentanoic acid?
5-(6-phenyl-2-bicyclo[2.2.1]heptanylidene)pentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-phenyl-2-bicyclo[2.2.1]heptanylidene)pentanoic acid is sourced from PubChem (CID 174780810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).