4-(3-cyclopropylazetidin-1-yl)benzonitrile

C13H14N2 — CID 90001838

IUPAC4-(3-cyclopropylazetidin-1-yl)benzonitrile
SMILESN#Cc1ccc(N2CC(C3CC3)C2)cc1
InChIInChI=1S/C13H14N2/c14-7-10-1-5-13(6-2-10)15-8-12(9-15)11-3-4-11/h1-2,5-6,11-12H,3-4,8-9H2
InChIKeyDVLUTJFGTDZHRF-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.40
Rot. Bonds2

About 4-(3-cyclopropylazetidin-1-yl)benzonitrile

4-(3-cyclopropylazetidin-1-yl)benzonitrile (PubChem CID 90001838) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-(3-cyclopropylazetidin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(3-cyclopropylazetidin-1-yl)benzonitrile
PubChem CID90001838
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name4-(3-cyclopropylazetidin-1-yl)benzonitrile
SMILESN#Cc1ccc(N2CC(C3CC3)C2)cc1
InChIInChI=1S/C13H14N2/c14-7-10-1-5-13(6-2-10)15-8-12(9-15)11-3-4-11/h1-2,5-6,11-12H,3-4,8-9H2
InChIKeyDVLUTJFGTDZHRF-UHFFFAOYSA-N
XLogP2.40
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.40
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 4-(3-cyclopropylazetidin-1-yl)benzonitrile?
The IUPAC name of 4-(3-cyclopropylazetidin-1-yl)benzonitrile (CID 90001838) is 4-(3-cyclopropylazetidin-1-yl)benzonitrile.
What is the SMILES notation for 4-(3-cyclopropylazetidin-1-yl)benzonitrile?
The canonical SMILES for 4-(3-cyclopropylazetidin-1-yl)benzonitrile is N#Cc1ccc(N2CC(C3CC3)C2)cc1.
What is the InChIKey of 4-(3-cyclopropylazetidin-1-yl)benzonitrile?
The InChIKey is DVLUTJFGTDZHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c14-7-10-1-5-13(6-2-10)15-8-12(9-15)11-3-4-11/h1-2,5-6,11-12H,3-4,8-9H2.
What are the key properties of 4-(3-cyclopropylazetidin-1-yl)benzonitrile?
4-(3-cyclopropylazetidin-1-yl)benzonitrile has a molecular weight of 198.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylazetidin-1-yl)benzonitrile is sourced from PubChem (CID 90001838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).