2-propan-2-ylcyclobutane-1-carbonitrile

C8H13N — CID 122449449

IUPAC2-propan-2-ylcyclobutane-1-carbonitrile
SMILESCC(C)C1CCC1C#N
InChIInChI=1S/C8H13N/c1-6(2)8-4-3-7(8)5-9/h6-8H,3-4H2,1-2H3
InChIKeyLIQHODULRYGUTI-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds1

About 2-propan-2-ylcyclobutane-1-carbonitrile

2-propan-2-ylcyclobutane-1-carbonitrile (PubChem CID 122449449) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-propan-2-ylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name2-propan-2-ylcyclobutane-1-carbonitrile
PubChem CID122449449
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-propan-2-ylcyclobutane-1-carbonitrile
SMILESCC(C)C1CCC1C#N
InChIInChI=1S/C8H13N/c1-6(2)8-4-3-7(8)5-9/h6-8H,3-4H2,1-2H3
InChIKeyLIQHODULRYGUTI-UHFFFAOYSA-N
XLogP2.19
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylcyclobutane-1-carbonitrile?
The IUPAC name of 2-propan-2-ylcyclobutane-1-carbonitrile (CID 122449449) is 2-propan-2-ylcyclobutane-1-carbonitrile.
What is the SMILES notation for 2-propan-2-ylcyclobutane-1-carbonitrile?
The canonical SMILES for 2-propan-2-ylcyclobutane-1-carbonitrile is CC(C)C1CCC1C#N.
What is the InChIKey of 2-propan-2-ylcyclobutane-1-carbonitrile?
The InChIKey is LIQHODULRYGUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6(2)8-4-3-7(8)5-9/h6-8H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-ylcyclobutane-1-carbonitrile?
2-propan-2-ylcyclobutane-1-carbonitrile has a molecular weight of 123.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylcyclobutane-1-carbonitrile is sourced from PubChem (CID 122449449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).