2-propan-2-ylbenzonitrile

C10H11N — CID 10920642

IUPAC2-propan-2-ylbenzonitrile
SMILESCC(C)c1ccccc1C#N
InChIInChI=1S/C10H11N/c1-8(2)10-6-4-3-5-9(10)7-11/h3-6,8H,1-2H3
InChIKeyLRKBACPCJTXJNF-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.68
Rot. Bonds1

About 2-propan-2-ylbenzonitrile

2-propan-2-ylbenzonitrile (PubChem CID 10920642) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-propan-2-ylbenzonitrile.

Molecular Properties

Compound Name2-propan-2-ylbenzonitrile
PubChem CID10920642
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name2-propan-2-ylbenzonitrile
SMILESCC(C)c1ccccc1C#N
InChIInChI=1S/C10H11N/c1-8(2)10-6-4-3-5-9(10)7-11/h3-6,8H,1-2H3
InChIKeyLRKBACPCJTXJNF-UHFFFAOYSA-N
XLogP2.68
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylbenzonitrile?
The IUPAC name of 2-propan-2-ylbenzonitrile (CID 10920642) is 2-propan-2-ylbenzonitrile.
What is the SMILES notation for 2-propan-2-ylbenzonitrile?
The canonical SMILES for 2-propan-2-ylbenzonitrile is CC(C)c1ccccc1C#N.
What is the InChIKey of 2-propan-2-ylbenzonitrile?
The InChIKey is LRKBACPCJTXJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-8(2)10-6-4-3-5-9(10)7-11/h3-6,8H,1-2H3.
What are the key properties of 2-propan-2-ylbenzonitrile?
2-propan-2-ylbenzonitrile has a molecular weight of 145.20 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylbenzonitrile is sourced from PubChem (CID 10920642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).