2-methylidenecyclopropan-1-one

C4H4O — CID 19064098

IUPAC2-methylidenecyclopropan-1-one
SMILESC=C1CC1=O
InChIInChI=1S/C4H4O/c1-3-2-4(3)5/h1-2H2
InChIKeyAGSXXJHGPOYRDU-UHFFFAOYSA-N
MW68.07 g/mol
LogP0.52
Rot. Bonds

About 2-methylidenecyclopropan-1-one

2-methylidenecyclopropan-1-one (PubChem CID 19064098) has the molecular formula C4H4O and a molecular weight of 68.07 g/mol. Its IUPAC name is 2-methylidenecyclopropan-1-one.

Molecular Properties

Compound Name2-methylidenecyclopropan-1-one
PubChem CID19064098
Molecular FormulaC4H4O
Molecular Weight68.07 g/mol
Exact Mass68.03
IUPAC Name2-methylidenecyclopropan-1-one
SMILESC=C1CC1=O
InChIInChI=1S/C4H4O/c1-3-2-4(3)5/h1-2H2
InChIKeyAGSXXJHGPOYRDU-UHFFFAOYSA-N
XLogP0.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50068.07
LogP ≤ 50.52
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

(3-methylidene-4-oxocyclopentylidene)tungsten
CID 58793505
1,2,4,5-tetramethylidenecyclohexane
CID 14908254
5-methyl-3-methylideneinden-1-one
CID 153330245
4-methylidenecyclohexane-1,2-dione
CID 57139524
ethane;2-methylidenecyclohexan-1-one
CID 142061505
4-methyl-2-methylidenecyclohept-4-en-1-one
CID 100986645
4-methoxy-3-methylideneinden-1-one
CID 14973064
3-methylidene-1-(3-methylidene-2,5-dioxopyrrolidin-1-yl)oxypyrrolidine-2,5-dione
CID 143820346
3-methylidene-1-[(3-methylidene-2,5-dioxopyrrolidin-1-yl)methyl]pyrrolidine-2,5-dione
CID 165109067
3-methylideneoxepan-2-one
CID 13113479
(1R)-7,7-dimethyl-4-methylidenebicyclo[4.1.0]heptan-3-one
CID 22214560
3-methylidene-oxacyclotetradecan-2-one
CID 14815029

Frequently Asked Questions

What is the IUPAC name of 2-methylidenecyclopropan-1-one?
The IUPAC name of 2-methylidenecyclopropan-1-one (CID 19064098) is 2-methylidenecyclopropan-1-one.
What is the SMILES notation for 2-methylidenecyclopropan-1-one?
The canonical SMILES for 2-methylidenecyclopropan-1-one is C=C1CC1=O.
What is the InChIKey of 2-methylidenecyclopropan-1-one?
The InChIKey is AGSXXJHGPOYRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O/c1-3-2-4(3)5/h1-2H2.
What are the key properties of 2-methylidenecyclopropan-1-one?
2-methylidenecyclopropan-1-one has a molecular weight of 68.07 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenecyclopropan-1-one is sourced from PubChem (CID 19064098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).