(3aR)-3aH-cyclopenta[e]azulene

C13H10 — CID 101361371

IUPAC(3aR)-3aH-cyclopenta[e]azulene
SMILESC1=CC2=CC=CC3C=CC=C3C2=C1
InChIInChI=1S/C13H10/c1-4-10-6-2-8-12(10)13-9-3-7-11(13)5-1/h1-10H
InChIKeyUCSITTBQYZHVEB-UHFFFAOYSA-N
MW166.22 g/mol
LogP3.09
Rot. Bonds

About (3aR)-3aH-cyclopenta[e]azulene

(3aR)-3aH-cyclopenta[e]azulene (PubChem CID 101361371) has the molecular formula C13H10 and a molecular weight of 166.22 g/mol. Its IUPAC name is (3aR)-3aH-cyclopenta[e]azulene.

Molecular Properties

Compound Name(3aR)-3aH-cyclopenta[e]azulene
PubChem CID101361371
Molecular FormulaC13H10
Molecular Weight166.22 g/mol
Exact Mass166.08
IUPAC Name(3aR)-3aH-cyclopenta[e]azulene
SMILESC1=CC2=CC=CC3C=CC=C3C2=C1
InChIInChI=1S/C13H10/c1-4-10-6-2-8-12(10)13-9-3-7-11(13)5-1/h1-10H
InChIKeyUCSITTBQYZHVEB-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3aH-pentalene-1-thione
CID 91035875
pentalene;vanadium
CID 161032270
1-cyclohexa-2,5-dien-1-ylinden-4-one
CID 88711477
1H-benzo[7]annulene-1-carboxylic acid
CID 140604884
3-oxatricyclo[6.5.0.02,4]trideca-1(13),5,7,9,11-pentaene
CID 87150947
1H-benzo[7]annulene-1,5-diol
CID 146382501
carbon monoxide;pentalene;rhenium
CID 139264183
1-ethynylpentalene
CID 91201950
3-ethyl-3H-cyclopenta[c]furan
CID 21095454
ethane-1,2-diol;pentalene
CID 87106064
7-(4-cyclopropylcyclobuta-1,3-dien-1-yl)-3-fluorocyclohepta-1,3,5-triene
CID 139449371
bicyclo[7.7.0]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 54413648

Frequently Asked Questions

What is the IUPAC name of (3aR)-3aH-cyclopenta[e]azulene?
The IUPAC name of (3aR)-3aH-cyclopenta[e]azulene (CID 101361371) is (3aR)-3aH-cyclopenta[e]azulene.
What is the SMILES notation for (3aR)-3aH-cyclopenta[e]azulene?
The canonical SMILES for (3aR)-3aH-cyclopenta[e]azulene is C1=CC2=CC=CC3C=CC=C3C2=C1.
What is the InChIKey of (3aR)-3aH-cyclopenta[e]azulene?
The InChIKey is UCSITTBQYZHVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10/c1-4-10-6-2-8-12(10)13-9-3-7-11(13)5-1/h1-10H.
What are the key properties of (3aR)-3aH-cyclopenta[e]azulene?
(3aR)-3aH-cyclopenta[e]azulene has a molecular weight of 166.22 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-3aH-cyclopenta[e]azulene is sourced from PubChem (CID 101361371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).