6-(3-bicyclo[3.1.0]hexanyl)bicyclo[3.2.0]hepta-1,3-diene

C13H16 — CID 163467711

IUPAC6-(3-bicyclo[3.1.0]hexanyl)bicyclo[3.2.0]hepta-1,3-diene
SMILESC1=CC2C(=C1)CC2C1CC2CC2C1
InChIInChI=1S/C13H16/c1-2-8-7-13(12(8)3-1)11-5-9-4-10(9)6-11/h1-3,9-13H,4-7H2
InChIKeyBTZZXUBWZCNQGI-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.16
Rot. Bonds1

About 6-(3-bicyclo[3.1.0]hexanyl)bicyclo[3.2.0]hepta-1,3-diene

6-(3-bicyclo[3.1.0]hexanyl)bicyclo[3.2.0]hepta-1,3-diene (PubChem CID 163467711) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 6-(3-bicyclo[3.1.0]hexanyl)bicyclo[3.2.0]hepta-1,3-diene.

Molecular Properties

Compound Name6-(3-bicyclo[3.1.0]hexanyl)bicyclo[3.2.0]hepta-1,3-diene
PubChem CID163467711
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name6-(3-bicyclo[3.1.0]hexanyl)bicyclo[3.2.0]hepta-1,3-diene
SMILESC1=CC2C(=C1)CC2C1CC2CC2C1
InChIInChI=1S/C13H16/c1-2-8-7-13(12(8)3-1)11-5-9-4-10(9)6-11/h1-3,9-13H,4-7H2
InChIKeyBTZZXUBWZCNQGI-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tricyclo[5.2.1.02,6]deca-2,4-dien-8-ol
CID 175470374
4a,5,8,8a,9,9a-hexahydro-4H-cyclopenta[b]naphthalene
CID 173020633
2,4-dimethyl-4a,5,10a,10b-tetrahydro-4H-azuleno[1,2-d][1,3]dioxine
CID 170409465
3-cyclopenta-1,3-dien-1-ylbicyclo[3.1.0]hexane
CID 163850420
1,2,3,3a-tetrahydropentalen-2-ol
CID 134858214
8-oxatricyclo[5.2.0.03,5]non-1(9)-ene
CID 123966166
8,10-diphenyltricyclo[5.2.2.02,6]undeca-2,4-diene
CID 134902900
(1R,2R,8R)-7,7-dimethyltricyclo[6.2.1.02,6]undeca-3,5-dien-9-one
CID 15818376
6-methyl-4,5,6,7-tetrahydro-3aH-indene
CID 91083284
1,5-dimethyl-4a,8a-dihydronaphthalene
CID 15555373
tricyclo[9.3.0.03,7]tetradeca-1(14),4,6,12-tetraene
CID 90904162
tricyclo[5.2.1.02,6]decan-4-one
CID 549023

Frequently Asked Questions

What is the IUPAC name of 6-(3-bicyclo[3.1.0]hexanyl)bicyclo[3.2.0]hepta-1,3-diene?
The IUPAC name of 6-(3-bicyclo[3.1.0]hexanyl)bicyclo[3.2.0]hepta-1,3-diene (CID 163467711) is 6-(3-bicyclo[3.1.0]hexanyl)bicyclo[3.2.0]hepta-1,3-diene.
What is the SMILES notation for 6-(3-bicyclo[3.1.0]hexanyl)bicyclo[3.2.0]hepta-1,3-diene?
The canonical SMILES for 6-(3-bicyclo[3.1.0]hexanyl)bicyclo[3.2.0]hepta-1,3-diene is C1=CC2C(=C1)CC2C1CC2CC2C1.
What is the InChIKey of 6-(3-bicyclo[3.1.0]hexanyl)bicyclo[3.2.0]hepta-1,3-diene?
The InChIKey is BTZZXUBWZCNQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-2-8-7-13(12(8)3-1)11-5-9-4-10(9)6-11/h1-3,9-13H,4-7H2.
What are the key properties of 6-(3-bicyclo[3.1.0]hexanyl)bicyclo[3.2.0]hepta-1,3-diene?
6-(3-bicyclo[3.1.0]hexanyl)bicyclo[3.2.0]hepta-1,3-diene has a molecular weight of 172.27 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bicyclo[3.1.0]hexanyl)bicyclo[3.2.0]hepta-1,3-diene is sourced from PubChem (CID 163467711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).