acetonitrile;propane;propan-2-one

C8H17NO — CID 18955680

IUPACacetonitrile;propane;propan-2-one
SMILESCC#N.CC(C)=O.CCC
InChIInChI=1S/C3H6O.C3H8.C2H3N/c1-3(2)4;1-3-2;1-2-3/h1-2H3;3H2,1-2H3;1H3
InChIKeyZQHSKHOKVGRALB-UHFFFAOYSA-N
MW143.23 g/mol
LogP2.54
Rot. Bonds

About acetonitrile;propane;propan-2-one

acetonitrile;propane;propan-2-one (PubChem CID 18955680) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is acetonitrile;propane;propan-2-one.

Molecular Properties

Compound Nameacetonitrile;propane;propan-2-one
PubChem CID18955680
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nameacetonitrile;propane;propan-2-one
SMILESCC#N.CC(C)=O.CCC
InChIInChI=1S/C3H6O.C3H8.C2H3N/c1-3(2)4;1-3-2;1-2-3/h1-2H3;3H2,1-2H3;1H3
InChIKeyZQHSKHOKVGRALB-UHFFFAOYSA-N
XLogP2.54
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;propane;propan-2-one?
The IUPAC name of acetonitrile;propane;propan-2-one (CID 18955680) is acetonitrile;propane;propan-2-one.
What is the SMILES notation for acetonitrile;propane;propan-2-one?
The canonical SMILES for acetonitrile;propane;propan-2-one is CC#N.CC(C)=O.CCC.
What is the InChIKey of acetonitrile;propane;propan-2-one?
The InChIKey is ZQHSKHOKVGRALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C3H8.C2H3N/c1-3(2)4;1-3-2;1-2-3/h1-2H3;3H2,1-2H3;1H3.
What are the key properties of acetonitrile;propane;propan-2-one?
acetonitrile;propane;propan-2-one has a molecular weight of 143.23 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;propane;propan-2-one is sourced from PubChem (CID 18955680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).