2-methyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dione

C14H12O2 — CID 130412008

IUPAC2-methyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dione
SMILESC/C=C\C1=C(C)C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H12O2/c1-3-6-10-9(2)13(15)11-7-4-5-8-12(11)14(10)16/h3-8H,1-2H3/b6-3-
InChIKeyOKZUTMCDGHDPBY-UTCJRWHESA-N
MW212.25 g/mol
LogP2.96
Rot. Bonds1

About 2-methyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dione

2-methyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dione (PubChem CID 130412008) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-methyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dione.

Molecular Properties

Compound Name2-methyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dione
PubChem CID130412008
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name2-methyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dione
SMILESC/C=C\C1=C(C)C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H12O2/c1-3-6-10-9(2)13(15)11-7-4-5-8-12(11)14(10)16/h3-8H,1-2H3/b6-3-
InChIKeyOKZUTMCDGHDPBY-UTCJRWHESA-N
XLogP2.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-1-hydroxyprop-1-enyl]-3-[(Z)-prop-1-enyl]naphthalene-1,4-dione
CID 166949189
4-hydroxy-3-[(Z)-prop-1-enyl]naphthalene-1,2-dione
CID 21160878
2,3-dimethoxy-5-methyl-6-[(E)-prop-1-enyl]cyclohexa-2,5-diene-1,4-dione
CID 22966629
8-methyl-5-(oxomethylidene)-7-[(Z)-prop-1-enyl]quinolin-6-one
CID 168990448
2-[(E)-but-2-enyl]-3-methylnaphthalene-1,4-dione
CID 70797928
2-(3-methyl-1,4-dioxonaphthalen-2-yl)acetaldehyde
CID 134866818
2-(3-methyl-1,4-dioxonaphthalen-2-yl)propanal
CID 165352783
2-[(E)-prop-1-enyl]naphthalene-1,4-dione
CID 139241161
CID 89078504
CID 89078504
(8Z,10Z)-8,9-bis(ethenyl)-11-methyl-10-[(Z)-prop-1-enyl]tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 159429111
4-chloro-6-hydroxy-3-methyl-2-[(Z)-prop-1-enyl]inden-1-one
CID 134268959
2-methyl-3-phenylinden-1-one
CID 2750462

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dione?
The IUPAC name of 2-methyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dione (CID 130412008) is 2-methyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dione.
What is the SMILES notation for 2-methyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dione?
The canonical SMILES for 2-methyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dione is C/C=C\C1=C(C)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-methyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dione?
The InChIKey is OKZUTMCDGHDPBY-UTCJRWHESA-N. The full InChI is InChI=1S/C14H12O2/c1-3-6-10-9(2)13(15)11-7-4-5-8-12(11)14(10)16/h3-8H,1-2H3/b6-3-.
What are the key properties of 2-methyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dione?
2-methyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dione has a molecular weight of 212.25 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dione is sourced from PubChem (CID 130412008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).