2-methylidene-7-propan-2-yl-3,4-dihydronaphthalen-1-one

C14H16O — CID 82277850

IUPAC2-methylidene-7-propan-2-yl-3,4-dihydronaphthalen-1-one
SMILESC=C1CCc2ccc(C(C)C)cc2C1=O
InChIInChI=1S/C14H16O/c1-9(2)12-7-6-11-5-4-10(3)14(15)13(11)8-12/h6-9H,3-5H2,1-2H3
InChIKeyBFOMUVPTXDYHKX-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.50
Rot. Bonds1

About 2-methylidene-7-propan-2-yl-3,4-dihydronaphthalen-1-one

2-methylidene-7-propan-2-yl-3,4-dihydronaphthalen-1-one (PubChem CID 82277850) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-methylidene-7-propan-2-yl-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-methylidene-7-propan-2-yl-3,4-dihydronaphthalen-1-one
PubChem CID82277850
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name2-methylidene-7-propan-2-yl-3,4-dihydronaphthalen-1-one
SMILESC=C1CCc2ccc(C(C)C)cc2C1=O
InChIInChI=1S/C14H16O/c1-9(2)12-7-6-11-5-4-10(3)14(15)13(11)8-12/h6-9H,3-5H2,1-2H3
InChIKeyBFOMUVPTXDYHKX-UHFFFAOYSA-N
XLogP3.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 89239604
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6-chloro-2-methylidene-3,4-dihydronaphthalen-1-one
CID 84619132
1-(8-propan-2-yl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)ethanol
CID 11357773
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CID 24808609
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CID 79837737
1,7-di(propan-2-yl)-3,4-dihydroquinolin-2-one;ethane
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CID 170135153

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-7-propan-2-yl-3,4-dihydronaphthalen-1-one?
The IUPAC name of 2-methylidene-7-propan-2-yl-3,4-dihydronaphthalen-1-one (CID 82277850) is 2-methylidene-7-propan-2-yl-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 2-methylidene-7-propan-2-yl-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 2-methylidene-7-propan-2-yl-3,4-dihydronaphthalen-1-one is C=C1CCc2ccc(C(C)C)cc2C1=O.
What is the InChIKey of 2-methylidene-7-propan-2-yl-3,4-dihydronaphthalen-1-one?
The InChIKey is BFOMUVPTXDYHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-9(2)12-7-6-11-5-4-10(3)14(15)13(11)8-12/h6-9H,3-5H2,1-2H3.
What are the key properties of 2-methylidene-7-propan-2-yl-3,4-dihydronaphthalen-1-one?
2-methylidene-7-propan-2-yl-3,4-dihydronaphthalen-1-one has a molecular weight of 200.28 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-7-propan-2-yl-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 82277850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).