2-anilinopropanenitrile

C9H10N2 — CID 15576825

IUPAC2-anilinopropanenitrile
SMILESCC(C#N)Nc1ccccc1
InChIInChI=1S/C9H10N2/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8,11H,1H3
InChIKeyOBJMWYAZGBFFNS-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.01
Rot. Bonds2

About 2-anilinopropanenitrile

2-anilinopropanenitrile (PubChem CID 15576825) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-anilinopropanenitrile.

Molecular Properties

Compound Name2-anilinopropanenitrile
PubChem CID15576825
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2-anilinopropanenitrile
SMILESCC(C#N)Nc1ccccc1
InChIInChI=1S/C9H10N2/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8,11H,1H3
InChIKeyOBJMWYAZGBFFNS-UHFFFAOYSA-N
XLogP2.01
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-anilinopropanenitrile?
The IUPAC name of 2-anilinopropanenitrile (CID 15576825) is 2-anilinopropanenitrile.
What is the SMILES notation for 2-anilinopropanenitrile?
The canonical SMILES for 2-anilinopropanenitrile is CC(C#N)Nc1ccccc1.
What is the InChIKey of 2-anilinopropanenitrile?
The InChIKey is OBJMWYAZGBFFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8,11H,1H3.
What are the key properties of 2-anilinopropanenitrile?
2-anilinopropanenitrile has a molecular weight of 146.19 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinopropanenitrile is sourced from PubChem (CID 15576825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).