2-(1-methylindazol-5-yl)prop-2-enenitrile

C11H9N3 — CID 142664666

IUPAC2-(1-methylindazol-5-yl)prop-2-enenitrile
SMILESC=C(C#N)c1ccc2c(cnn2C)c1
InChIInChI=1S/C11H9N3/c1-8(6-12)9-3-4-11-10(5-9)7-13-14(11)2/h3-5,7H,1H2,2H3
InChIKeyYZXNILREFUOCEI-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.11
Rot. Bonds1

About 2-(1-methylindazol-5-yl)prop-2-enenitrile

2-(1-methylindazol-5-yl)prop-2-enenitrile (PubChem CID 142664666) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(1-methylindazol-5-yl)prop-2-enenitrile.

Molecular Properties

Compound Name2-(1-methylindazol-5-yl)prop-2-enenitrile
PubChem CID142664666
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name2-(1-methylindazol-5-yl)prop-2-enenitrile
SMILESC=C(C#N)c1ccc2c(cnn2C)c1
InChIInChI=1S/C11H9N3/c1-8(6-12)9-3-4-11-10(5-9)7-13-14(11)2/h3-5,7H,1H2,2H3
InChIKeyYZXNILREFUOCEI-UHFFFAOYSA-N
XLogP2.11
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindazol-5-yl)prop-2-enenitrile?
The IUPAC name of 2-(1-methylindazol-5-yl)prop-2-enenitrile (CID 142664666) is 2-(1-methylindazol-5-yl)prop-2-enenitrile.
What is the SMILES notation for 2-(1-methylindazol-5-yl)prop-2-enenitrile?
The canonical SMILES for 2-(1-methylindazol-5-yl)prop-2-enenitrile is C=C(C#N)c1ccc2c(cnn2C)c1.
What is the InChIKey of 2-(1-methylindazol-5-yl)prop-2-enenitrile?
The InChIKey is YZXNILREFUOCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-8(6-12)9-3-4-11-10(5-9)7-13-14(11)2/h3-5,7H,1H2,2H3.
What are the key properties of 2-(1-methylindazol-5-yl)prop-2-enenitrile?
2-(1-methylindazol-5-yl)prop-2-enenitrile has a molecular weight of 183.21 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindazol-5-yl)prop-2-enenitrile is sourced from PubChem (CID 142664666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).