(1S,8R)-13-methylidenetricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaene

C14H12 — CID 95564771

IUPAC(1S,8R)-13-methylidenetricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaene
SMILESC=C1[C@H]2C=CC=C[C@@H]1c1ccccc12
InChIInChI=1S/C14H12/c1-10-11-6-2-3-7-12(10)14-9-5-4-8-13(11)14/h2-9,11-12H,1H2/t11-,12+
InChIKeyKMFMGAXQPKNXGP-TXEJJXNPSA-N
MW180.25 g/mol
LogP3.55
Rot. Bonds

About (1S,8R)-13-methylidenetricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaene

(1S,8R)-13-methylidenetricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaene (PubChem CID 95564771) has the molecular formula C14H12 and a molecular weight of 180.25 g/mol. Its IUPAC name is (1S,8R)-13-methylidenetricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaene.

Molecular Properties

Compound Name(1S,8R)-13-methylidenetricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaene
PubChem CID95564771
Molecular FormulaC14H12
Molecular Weight180.25 g/mol
Exact Mass180.09
IUPAC Name(1S,8R)-13-methylidenetricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaene
SMILESC=C1[C@H]2C=CC=C[C@@H]1c1ccccc12
InChIInChI=1S/C14H12/c1-10-11-6-2-3-7-12(10)14-9-5-4-8-13(11)14/h2-9,11-12H,1H2/t11-,12+
InChIKeyKMFMGAXQPKNXGP-TXEJJXNPSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1S,8R)-13-methylidenetricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaene with MolForge

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Related Compounds

tricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaen-13-one
CID 101227628
6-(2-fluorophenyl)cyclohexa-2,4-diene-1-thione
CID 173008157
heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,18,20,24,26-decaene
CID 140797975
11-benzhydrylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 627836
15,16-dimethylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
CID 4118963
bis(4a,9-dihydrofluoren-9-ide);methylidenetitanium(2+);dichloride
CID 87903661
bis(4a,9-dihydrofluoren-9-ide);methylidenezirconium(2+);dichloride
CID 87903664
6-(2-chlorophenyl)cyclohexa-2,4-dien-1-one
CID 169094136
heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3,5,7,11,13,15,19,21,23-nonaene
CID 101073246
9-propan-2-yl-4aH-fluorene
CID 59892983
[6-(2-chlorophenyl)cyclohexa-2,4-dien-1-ylidene]methanone
CID 91802156
9a-methyl-9-methylidene-4aH-fluorene
CID 144629603

Frequently Asked Questions

What is the IUPAC name of (1S,8R)-13-methylidenetricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaene?
The IUPAC name of (1S,8R)-13-methylidenetricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaene (CID 95564771) is (1S,8R)-13-methylidenetricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaene.
What is the SMILES notation for (1S,8R)-13-methylidenetricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaene?
The canonical SMILES for (1S,8R)-13-methylidenetricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaene is C=C1[C@H]2C=CC=C[C@@H]1c1ccccc12.
What is the InChIKey of (1S,8R)-13-methylidenetricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaene?
The InChIKey is KMFMGAXQPKNXGP-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H12/c1-10-11-6-2-3-7-12(10)14-9-5-4-8-13(11)14/h2-9,11-12H,1H2/t11-,12+.
What are the key properties of (1S,8R)-13-methylidenetricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaene?
(1S,8R)-13-methylidenetricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaene has a molecular weight of 180.25 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-13-methylidenetricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaene is sourced from PubChem (CID 95564771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).