acetylene;propan-2-one

C7H10O — CID 175379090

IUPACacetylene;propan-2-one
SMILESC#C.C#C.CC(C)=O
InChIInChI=1S/C3H6O.2C2H2/c1-3(2)4;2*1-2/h1-2H3;2*1-2H
InChIKeyFDZDRXLQJBJAAD-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.09
Rot. Bonds

About acetylene;propan-2-one

acetylene;propan-2-one (PubChem CID 175379090) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is acetylene;propan-2-one.

Molecular Properties

Compound Nameacetylene;propan-2-one
PubChem CID175379090
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Nameacetylene;propan-2-one
SMILESC#C.C#C.CC(C)=O
InChIInChI=1S/C3H6O.2C2H2/c1-3(2)4;2*1-2/h1-2H3;2*1-2H
InChIKeyFDZDRXLQJBJAAD-UHFFFAOYSA-N
XLogP1.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze acetylene;propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

argon;propan-2-one
CID 19604749
Silane-acetone
CID 18680436
nickel;tris(propan-2-one)
CID 175333114
propan-2-one;zirconium
CID 87087539
silver bis(propan-2-one)
CID 71340648
methanol;propan-2-one;dihydrate
CID 158013024
methanol;propan-2-one;hydrate
CID 86590524
chromium(6+);tris(oxygen(2-));propan-2-one
CID 173410195
propan-2-one;sulfur monoxide
CID 21387950
acetylene;butan-2-one
CID 145415849
aluminum;tris(propan-2-olate);propan-2-one
CID 21261065
hydrazine;propan-2-one;dihydrate
CID 18407837

Frequently Asked Questions

What is the IUPAC name of acetylene;propan-2-one?
The IUPAC name of acetylene;propan-2-one (CID 175379090) is acetylene;propan-2-one.
What is the SMILES notation for acetylene;propan-2-one?
The canonical SMILES for acetylene;propan-2-one is C#C.C#C.CC(C)=O.
What is the InChIKey of acetylene;propan-2-one?
The InChIKey is FDZDRXLQJBJAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.2C2H2/c1-3(2)4;2*1-2/h1-2H3;2*1-2H.
What are the key properties of acetylene;propan-2-one?
acetylene;propan-2-one has a molecular weight of 110.16 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;propan-2-one is sourced from PubChem (CID 175379090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).