propa-1,2-diene;propan-2-one

C6H10O — CID 159669386

IUPACpropa-1,2-diene;propan-2-one
SMILESC=C=C.CC(C)=O
InChIInChI=1S/C3H6O.C3H4/c1-3(2)4;1-3-2/h1-2H3;1-2H2
InChIKeyMTUPPQSKUISNNS-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.55
Rot. Bonds

About propa-1,2-diene;propan-2-one

propa-1,2-diene;propan-2-one (PubChem CID 159669386) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is propa-1,2-diene;propan-2-one.

Molecular Properties

Compound Namepropa-1,2-diene;propan-2-one
PubChem CID159669386
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Namepropa-1,2-diene;propan-2-one
SMILESC=C=C.CC(C)=O
InChIInChI=1S/C3H6O.C3H4/c1-3(2)4;1-3-2/h1-2H3;1-2H2
InChIKeyMTUPPQSKUISNNS-UHFFFAOYSA-N
XLogP1.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propa-1,2-diene;propan-2-one?
The IUPAC name of propa-1,2-diene;propan-2-one (CID 159669386) is propa-1,2-diene;propan-2-one.
What is the SMILES notation for propa-1,2-diene;propan-2-one?
The canonical SMILES for propa-1,2-diene;propan-2-one is C=C=C.CC(C)=O.
What is the InChIKey of propa-1,2-diene;propan-2-one?
The InChIKey is MTUPPQSKUISNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C3H4/c1-3(2)4;1-3-2/h1-2H3;1-2H2.
What are the key properties of propa-1,2-diene;propan-2-one?
propa-1,2-diene;propan-2-one has a molecular weight of 98.14 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propa-1,2-diene;propan-2-one is sourced from PubChem (CID 159669386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).