1-methyl-4-methylidene-1-prop-2-ynylnaphthalene

C15H14 — CID 46210623

IUPAC1-methyl-4-methylidene-1-prop-2-ynylnaphthalene
SMILESC#CCC1(C)C=CC(=C)c2ccccc21
InChIInChI=1S/C15H14/c1-4-10-15(3)11-9-12(2)13-7-5-6-8-14(13)15/h1,5-9,11H,2,10H2,3H3
InChIKeyNZOHUTJHFVRJSO-UHFFFAOYSA-N
MW194.28 g/mol
LogP3.55
Rot. Bonds1

About 1-methyl-4-methylidene-1-prop-2-ynylnaphthalene

1-methyl-4-methylidene-1-prop-2-ynylnaphthalene (PubChem CID 46210623) has the molecular formula C15H14 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-methyl-4-methylidene-1-prop-2-ynylnaphthalene.

Molecular Properties

Compound Name1-methyl-4-methylidene-1-prop-2-ynylnaphthalene
PubChem CID46210623
Molecular FormulaC15H14
Molecular Weight194.28 g/mol
Exact Mass194.11
IUPAC Name1-methyl-4-methylidene-1-prop-2-ynylnaphthalene
SMILESC#CCC1(C)C=CC(=C)c2ccccc21
InChIInChI=1S/C15H14/c1-4-10-15(3)11-9-12(2)13-7-5-6-8-14(13)15/h1,5-9,11H,2,10H2,3H3
InChIKeyNZOHUTJHFVRJSO-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(6Z,8Z)-5,5,7-trimethyl-10-methylidenebenzo[8]annulene
CID 142604744
9-methyl-9-(2-prop-2-ynoxyphenyl)fluorene
CID 170050137
methane;9-methylfluoren-9-ol
CID 160708378
9-but-2-ynylfluoren-9-ol
CID 155470796
2,2-bis(prop-2-ynyl)indene-1,3-dione
CID 4134651
ethane;9-fluoro-9-methylfluorene
CID 163249751
9-(2-tert-butylphenyl)-9-methylfluorene
CID 101035230
9-methyl-9-prop-1-en-2-ylfluorene
CID 10911089
9-(4-tert-butyl-2-prop-2-ynoxynaphthalen-1-yl)-9-methylfluorene
CID 170050303
9-methyl-9-[[4-[(9-methylfluoren-9-yl)methyl]phenyl]methyl]fluorene
CID 86051025
9-methyl-9-propylfluorene
CID 13283188
26-methyl-9,18-bis(prop-2-enyl)-27-prop-2-ynylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene-9,18,27-triol
CID 163664224

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylidene-1-prop-2-ynylnaphthalene?
The IUPAC name of 1-methyl-4-methylidene-1-prop-2-ynylnaphthalene (CID 46210623) is 1-methyl-4-methylidene-1-prop-2-ynylnaphthalene.
What is the SMILES notation for 1-methyl-4-methylidene-1-prop-2-ynylnaphthalene?
The canonical SMILES for 1-methyl-4-methylidene-1-prop-2-ynylnaphthalene is C#CCC1(C)C=CC(=C)c2ccccc21.
What is the InChIKey of 1-methyl-4-methylidene-1-prop-2-ynylnaphthalene?
The InChIKey is NZOHUTJHFVRJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14/c1-4-10-15(3)11-9-12(2)13-7-5-6-8-14(13)15/h1,5-9,11H,2,10H2,3H3.
What are the key properties of 1-methyl-4-methylidene-1-prop-2-ynylnaphthalene?
1-methyl-4-methylidene-1-prop-2-ynylnaphthalene has a molecular weight of 194.28 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylidene-1-prop-2-ynylnaphthalene is sourced from PubChem (CID 46210623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).