4-(1H-indazol-4-yl)but-3-enenitrile

C11H9N3 — CID 170799821

IUPAC4-(1H-indazol-4-yl)but-3-enenitrile
SMILESN#CCC=Cc1cccc2[nH]ncc12
InChIInChI=1S/C11H9N3/c12-7-2-1-4-9-5-3-6-11-10(9)8-13-14-11/h1,3-6,8H,2H2,(H,13,14)
InChIKeySCSWAJYXDSSQGK-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.49
Rot. Bonds2

About 4-(1H-indazol-4-yl)but-3-enenitrile

4-(1H-indazol-4-yl)but-3-enenitrile (PubChem CID 170799821) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(1H-indazol-4-yl)but-3-enenitrile.

Molecular Properties

Compound Name4-(1H-indazol-4-yl)but-3-enenitrile
PubChem CID170799821
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name4-(1H-indazol-4-yl)but-3-enenitrile
SMILESN#CCC=Cc1cccc2[nH]ncc12
InChIInChI=1S/C11H9N3/c12-7-2-1-4-9-5-3-6-11-10(9)8-13-14-11/h1,3-6,8H,2H2,(H,13,14)
InChIKeySCSWAJYXDSSQGK-UHFFFAOYSA-N
XLogP2.49
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-4-yl)but-3-enenitrile?
The IUPAC name of 4-(1H-indazol-4-yl)but-3-enenitrile (CID 170799821) is 4-(1H-indazol-4-yl)but-3-enenitrile.
What is the SMILES notation for 4-(1H-indazol-4-yl)but-3-enenitrile?
The canonical SMILES for 4-(1H-indazol-4-yl)but-3-enenitrile is N#CCC=Cc1cccc2[nH]ncc12.
What is the InChIKey of 4-(1H-indazol-4-yl)but-3-enenitrile?
The InChIKey is SCSWAJYXDSSQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c12-7-2-1-4-9-5-3-6-11-10(9)8-13-14-11/h1,3-6,8H,2H2,(H,13,14).
What are the key properties of 4-(1H-indazol-4-yl)but-3-enenitrile?
4-(1H-indazol-4-yl)but-3-enenitrile has a molecular weight of 183.21 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-4-yl)but-3-enenitrile is sourced from PubChem (CID 170799821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).