(1S,6R)-7-[(1R,6R)-7-bicyclo[4.1.0]heptanylidene]bicyclo[4.1.0]heptane

C14H20 — CID 99134620

IUPAC(1S,6R)-7-[(1R,6R)-7-bicyclo[4.1.0]heptanylidene]bicyclo[4.1.0]heptane
SMILESC1CC[C@H]2C(=C3[C@@H]4CCCC[C@@H]34)[C@H]2C1
InChIInChI=1S/C14H20/c1-2-6-10-9(5-1)13(10)14-11-7-3-4-8-12(11)14/h9-12H,1-8H2/t9-,10-,11-,12+/m1/s1
InChIKeyPGJOOQCXPNHXDI-KKOKHZNYSA-N
MW188.31 g/mol
LogP3.92
Rot. Bonds

About (1S,6R)-7-[(1R,6R)-7-bicyclo[4.1.0]heptanylidene]bicyclo[4.1.0]heptane

(1S,6R)-7-[(1R,6R)-7-bicyclo[4.1.0]heptanylidene]bicyclo[4.1.0]heptane (PubChem CID 99134620) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is (1S,6R)-7-[(1R,6R)-7-bicyclo[4.1.0]heptanylidene]bicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S,6R)-7-[(1R,6R)-7-bicyclo[4.1.0]heptanylidene]bicyclo[4.1.0]heptane
PubChem CID99134620
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name(1S,6R)-7-[(1R,6R)-7-bicyclo[4.1.0]heptanylidene]bicyclo[4.1.0]heptane
SMILESC1CC[C@H]2C(=C3[C@@H]4CCCC[C@@H]34)[C@H]2C1
InChIInChI=1S/C14H20/c1-2-6-10-9(5-1)13(10)14-11-7-3-4-8-12(11)14/h9-12H,1-8H2/t9-,10-,11-,12+/m1/s1
InChIKeyPGJOOQCXPNHXDI-KKOKHZNYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1S,6R)-7-[(1R,6R)-7-bicyclo[4.1.0]heptanylidene]bicyclo[4.1.0]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,6S)-7-[(1S,6S)-7-bicyclo[4.1.0]heptanylidene]bicyclo[4.1.0]heptane
CID 98158448
(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
CID 13235573
1,2,3,4,4a,6a,7,8,9,10,10a,12a-dodecahydrotetracene-5,6,11,12-tetrone
CID 57353248
(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
CID 13235574
7-propylidenebicyclo[4.1.0]heptane
CID 556456
8-(7-bicyclo[4.1.0]heptanylidene)-1,4-dioxaspiro[4.5]decane
CID 11107282
tricyclo[5.3.1.12,6]dodecane-11,12-dione
CID 605937
2-imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione
CID 130030337
2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one
CID 154595410
(4aS,4bR)-1,2,3,4,4a,4b,5,6,7,8-decahydrophenanthrene
CID 12714337
8,9,10-trimethylidene-2,3,4,4a,5,6,7,8a,9a,10a-decahydro-1H-anthracene
CID 175560244
3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione;hydrazine
CID 159173546

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-7-[(1R,6R)-7-bicyclo[4.1.0]heptanylidene]bicyclo[4.1.0]heptane?
The IUPAC name of (1S,6R)-7-[(1R,6R)-7-bicyclo[4.1.0]heptanylidene]bicyclo[4.1.0]heptane (CID 99134620) is (1S,6R)-7-[(1R,6R)-7-bicyclo[4.1.0]heptanylidene]bicyclo[4.1.0]heptane.
What is the SMILES notation for (1S,6R)-7-[(1R,6R)-7-bicyclo[4.1.0]heptanylidene]bicyclo[4.1.0]heptane?
The canonical SMILES for (1S,6R)-7-[(1R,6R)-7-bicyclo[4.1.0]heptanylidene]bicyclo[4.1.0]heptane is C1CC[C@H]2C(=C3[C@@H]4CCCC[C@@H]34)[C@H]2C1.
What is the InChIKey of (1S,6R)-7-[(1R,6R)-7-bicyclo[4.1.0]heptanylidene]bicyclo[4.1.0]heptane?
The InChIKey is PGJOOQCXPNHXDI-KKOKHZNYSA-N. The full InChI is InChI=1S/C14H20/c1-2-6-10-9(5-1)13(10)14-11-7-3-4-8-12(11)14/h9-12H,1-8H2/t9-,10-,11-,12+/m1/s1.
What are the key properties of (1S,6R)-7-[(1R,6R)-7-bicyclo[4.1.0]heptanylidene]bicyclo[4.1.0]heptane?
(1S,6R)-7-[(1R,6R)-7-bicyclo[4.1.0]heptanylidene]bicyclo[4.1.0]heptane has a molecular weight of 188.31 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-7-[(1R,6R)-7-bicyclo[4.1.0]heptanylidene]bicyclo[4.1.0]heptane is sourced from PubChem (CID 99134620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).