2-methyl-3-propan-2-yloxypropanenitrile

C7H13NO — CID 524269

IUPAC2-methyl-3-propan-2-yloxypropanenitrile
SMILESCC(C#N)COC(C)C
InChIInChI=1S/C7H13NO/c1-6(2)9-5-7(3)4-8/h6-7H,5H2,1-3H3
InChIKeyXQKSXHAHCPLSIV-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.57
Rot. Bonds3

About 2-methyl-3-propan-2-yloxypropanenitrile

2-methyl-3-propan-2-yloxypropanenitrile (PubChem CID 524269) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-methyl-3-propan-2-yloxypropanenitrile.

Molecular Properties

Compound Name2-methyl-3-propan-2-yloxypropanenitrile
PubChem CID524269
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-methyl-3-propan-2-yloxypropanenitrile
SMILESCC(C#N)COC(C)C
InChIInChI=1S/C7H13NO/c1-6(2)9-5-7(3)4-8/h6-7H,5H2,1-3H3
InChIKeyXQKSXHAHCPLSIV-UHFFFAOYSA-N
XLogP1.57
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-yloxypropanenitrile?
The IUPAC name of 2-methyl-3-propan-2-yloxypropanenitrile (CID 524269) is 2-methyl-3-propan-2-yloxypropanenitrile.
What is the SMILES notation for 2-methyl-3-propan-2-yloxypropanenitrile?
The canonical SMILES for 2-methyl-3-propan-2-yloxypropanenitrile is CC(C#N)COC(C)C.
What is the InChIKey of 2-methyl-3-propan-2-yloxypropanenitrile?
The InChIKey is XQKSXHAHCPLSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(2)9-5-7(3)4-8/h6-7H,5H2,1-3H3.
What are the key properties of 2-methyl-3-propan-2-yloxypropanenitrile?
2-methyl-3-propan-2-yloxypropanenitrile has a molecular weight of 127.19 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-yloxypropanenitrile is sourced from PubChem (CID 524269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).