5-methylidenepyren-4-one

C17H10O — CID 154595995

IUPAC5-methylidenepyren-4-one
SMILESC=C1C(=O)c2cccc3ccc4cccc1c4c23
InChIInChI=1S/C17H10O/c1-10-13-6-2-4-11-8-9-12-5-3-7-14(17(10)18)16(12)15(11)13/h2-9H,1H2
InChIKeyKFQNNZXGHQXZFY-UHFFFAOYSA-N
MW230.27 g/mol
LogP4.20
Rot. Bonds

About 5-methylidenepyren-4-one

5-methylidenepyren-4-one (PubChem CID 154595995) has the molecular formula C17H10O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-methylidenepyren-4-one.

Molecular Properties

Compound Name5-methylidenepyren-4-one
PubChem CID154595995
Molecular FormulaC17H10O
Molecular Weight230.27 g/mol
Exact Mass230.07
IUPAC Name5-methylidenepyren-4-one
SMILESC=C1C(=O)c2cccc3ccc4cccc1c4c23
InChIInChI=1S/C17H10O/c1-10-13-6-2-4-11-8-9-12-5-3-7-14(17(10)18)16(12)15(11)13/h2-9H,1H2
InChIKeyKFQNNZXGHQXZFY-UHFFFAOYSA-N
XLogP4.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 90765972
1-phenylbenzo[b]phenalen-7-one
CID 12547034
2-aminophenalen-1-one
CID 13013288
2-methylphenalen-1-one
CID 15695099
1-(7-oxobenzo[a]phenalen-1-yl)selanylbenzo[b]phenalen-7-one
CID 154105159
2,3-ditert-butylphenalen-1-one
CID 118459958
2-oxo-2lambda4-thiatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-one
CID 13402446
3-nitroacenaphthylene-1,2-dione
CID 71120165
pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,6,8,11,13(18),14,16-octaene-4,5-dione
CID 10848652
pyrene;zirconium
CID 175873743

Frequently Asked Questions

What is the IUPAC name of 5-methylidenepyren-4-one?
The IUPAC name of 5-methylidenepyren-4-one (CID 154595995) is 5-methylidenepyren-4-one.
What is the SMILES notation for 5-methylidenepyren-4-one?
The canonical SMILES for 5-methylidenepyren-4-one is C=C1C(=O)c2cccc3ccc4cccc1c4c23.
What is the InChIKey of 5-methylidenepyren-4-one?
The InChIKey is KFQNNZXGHQXZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O/c1-10-13-6-2-4-11-8-9-12-5-3-7-14(17(10)18)16(12)15(11)13/h2-9H,1H2.
What are the key properties of 5-methylidenepyren-4-one?
5-methylidenepyren-4-one has a molecular weight of 230.27 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidenepyren-4-one is sourced from PubChem (CID 154595995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).