(1R,2S,4R)-2-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane

C12H16 — CID 102279327

IUPAC(1R,2S,4R)-2-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane
SMILESC1=CCC([C@H]2C[C@@H]3CC[C@@H]2C3)=C1
InChIInChI=1S/C12H16/c1-2-4-10(3-1)12-8-9-5-6-11(12)7-9/h1-3,9,11-12H,4-8H2/t9-,11-,12-/m1/s1
InChIKeyJUOSEJDFSGFGTG-YUSALJHKSA-N
MW160.26 g/mol
LogP3.31
Rot. Bonds1

About (1R,2S,4R)-2-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane

(1R,2S,4R)-2-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane (PubChem CID 102279327) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is (1R,2S,4R)-2-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2S,4R)-2-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane
PubChem CID102279327
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name(1R,2S,4R)-2-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane
SMILESC1=CCC([C@H]2C[C@@H]3CC[C@@H]2C3)=C1
InChIInChI=1S/C12H16/c1-2-4-10(3-1)12-8-9-5-6-11(12)7-9/h1-3,9,11-12H,4-8H2/t9-,11-,12-/m1/s1
InChIKeyJUOSEJDFSGFGTG-YUSALJHKSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(cyclohexen-1-yl)bicyclo[2.2.1]heptane
CID 154721857
(1R,2R,4S)-2-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane
CID 101176008
(1S,4R)-2-phenylbicyclo[2.2.1]heptane
CID 10965003
(1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane
CID 10397553
2-[(2-bicyclo[2.2.1]heptanylamino)methyl]cyclohexa-2,4-dien-1-one
CID 70558760
(1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane
CID 101158229
2-(2,4-dimethylphenyl)bicyclo[2.2.1]heptane
CID 15514590
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylthiophene
CID 121002337
2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methylpyridine
CID 102340250
4-(2-bicyclo[2.2.1]heptanyl)-3H-1,3-thiazol-2-one
CID 130640818
2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline
CID 86079692
(2-cyclopenta-1,3-dien-1-ylcyclopentyl)-phenylmethanol
CID 169488214

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-2-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane?
The IUPAC name of (1R,2S,4R)-2-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane (CID 102279327) is (1R,2S,4R)-2-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2S,4R)-2-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2S,4R)-2-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane is C1=CCC([C@H]2C[C@@H]3CC[C@@H]2C3)=C1.
What is the InChIKey of (1R,2S,4R)-2-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane?
The InChIKey is JUOSEJDFSGFGTG-YUSALJHKSA-N. The full InChI is InChI=1S/C12H16/c1-2-4-10(3-1)12-8-9-5-6-11(12)7-9/h1-3,9,11-12H,4-8H2/t9-,11-,12-/m1/s1.
What are the key properties of (1R,2S,4R)-2-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane?
(1R,2S,4R)-2-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane has a molecular weight of 160.26 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-2-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane is sourced from PubChem (CID 102279327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).