3-oxo-1-(4-propan-2-ylphenyl)cyclobutane-1-carbonitrile

C14H15NO — CID 64905636

IUPAC3-oxo-1-(4-propan-2-ylphenyl)cyclobutane-1-carbonitrile
SMILESCC(C)c1ccc(C2(C#N)CC(=O)C2)cc1
InChIInChI=1S/C14H15NO/c1-10(2)11-3-5-12(6-4-11)14(9-15)7-13(16)8-14/h3-6,10H,7-8H2,1-2H3
InChIKeyPRZMNLIIOHKJHI-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.93
Rot. Bonds2

About 3-oxo-1-(4-propan-2-ylphenyl)cyclobutane-1-carbonitrile

3-oxo-1-(4-propan-2-ylphenyl)cyclobutane-1-carbonitrile (PubChem CID 64905636) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-oxo-1-(4-propan-2-ylphenyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-oxo-1-(4-propan-2-ylphenyl)cyclobutane-1-carbonitrile
PubChem CID64905636
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name3-oxo-1-(4-propan-2-ylphenyl)cyclobutane-1-carbonitrile
SMILESCC(C)c1ccc(C2(C#N)CC(=O)C2)cc1
InChIInChI=1S/C14H15NO/c1-10(2)11-3-5-12(6-4-11)14(9-15)7-13(16)8-14/h3-6,10H,7-8H2,1-2H3
InChIKeyPRZMNLIIOHKJHI-UHFFFAOYSA-N
XLogP2.93
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-1-(4-propan-2-ylphenyl)cyclobutane-1-carbonitrile?
The IUPAC name of 3-oxo-1-(4-propan-2-ylphenyl)cyclobutane-1-carbonitrile (CID 64905636) is 3-oxo-1-(4-propan-2-ylphenyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-oxo-1-(4-propan-2-ylphenyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 3-oxo-1-(4-propan-2-ylphenyl)cyclobutane-1-carbonitrile is CC(C)c1ccc(C2(C#N)CC(=O)C2)cc1.
What is the InChIKey of 3-oxo-1-(4-propan-2-ylphenyl)cyclobutane-1-carbonitrile?
The InChIKey is PRZMNLIIOHKJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10(2)11-3-5-12(6-4-11)14(9-15)7-13(16)8-14/h3-6,10H,7-8H2,1-2H3.
What are the key properties of 3-oxo-1-(4-propan-2-ylphenyl)cyclobutane-1-carbonitrile?
3-oxo-1-(4-propan-2-ylphenyl)cyclobutane-1-carbonitrile has a molecular weight of 213.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-1-(4-propan-2-ylphenyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 64905636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).