3-methylidenecyclopenta[b]naphthalene

C14H10 — CID 12699885

IUPAC3-methylidenecyclopenta[b]naphthalene
SMILESC=C1C=Cc2cc3ccccc3cc21
InChIInChI=1S/C14H10/c1-10-6-7-13-8-11-4-2-3-5-12(11)9-14(10)13/h2-9H,1H2
InChIKeyGYJLBPVMCXFMIU-UHFFFAOYSA-N
MW178.23 g/mol
LogP3.88
Rot. Bonds

About 3-methylidenecyclopenta[b]naphthalene

3-methylidenecyclopenta[b]naphthalene (PubChem CID 12699885) has the molecular formula C14H10 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-methylidenecyclopenta[b]naphthalene.

Molecular Properties

Compound Name3-methylidenecyclopenta[b]naphthalene
PubChem CID12699885
Molecular FormulaC14H10
Molecular Weight178.23 g/mol
Exact Mass178.08
IUPAC Name3-methylidenecyclopenta[b]naphthalene
SMILESC=C1C=Cc2cc3ccccc3cc21
InChIInChI=1S/C14H10/c1-10-6-7-13-8-11-4-2-3-5-12(11)9-14(10)13/h2-9H,1H2
InChIKeyGYJLBPVMCXFMIU-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

anthracene-1,2-dione
CID 160810098
(8Z)-pentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 177396805
2-azanidapentacyclo[13.8.0.03,12.05,10.017,22]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene;yttrium
CID 155760519
1,3-dimethylidenecyclopenta[b]naphthalene;ethane
CID 91140951
decacyclo[19.19.0.02,19.04,17.06,15.08,13.022,39.024,37.026,35.028,33]tetraconta-1(40),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-icosaene
CID 102341942
1-(dichloromethylidene)-2H-anthracene
CID 141398318
anthracene-1,2-dione;bromomethylbenzene
CID 174847048
octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4,6(11),9,12,14,16,18,20,22,24,26,28,30,32-hexadecaen-7-one
CID 87342154
lithium anthracene
CID 22662646
anthracene;silane
CID 131739126
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
anthracene;vanadium
CID 173418141

Frequently Asked Questions

What is the IUPAC name of 3-methylidenecyclopenta[b]naphthalene?
The IUPAC name of 3-methylidenecyclopenta[b]naphthalene (CID 12699885) is 3-methylidenecyclopenta[b]naphthalene.
What is the SMILES notation for 3-methylidenecyclopenta[b]naphthalene?
The canonical SMILES for 3-methylidenecyclopenta[b]naphthalene is C=C1C=Cc2cc3ccccc3cc21.
What is the InChIKey of 3-methylidenecyclopenta[b]naphthalene?
The InChIKey is GYJLBPVMCXFMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10/c1-10-6-7-13-8-11-4-2-3-5-12(11)9-14(10)13/h2-9H,1H2.
What are the key properties of 3-methylidenecyclopenta[b]naphthalene?
3-methylidenecyclopenta[b]naphthalene has a molecular weight of 178.23 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenecyclopenta[b]naphthalene is sourced from PubChem (CID 12699885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).