3-[4-(dimethylamino)-3-pyridinyl]prop-2-enenitrile

C10H11N3 — CID 174891679

IUPAC3-[4-(dimethylamino)-3-pyridinyl]prop-2-enenitrile
SMILESCN(C)c1ccncc1C=CC#N
InChIInChI=1S/C10H11N3/c1-13(2)10-5-7-12-8-9(10)4-3-6-11/h3-5,7-8H,1-2H3
InChIKeyQILIUHLKRYERLQ-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.68
Rot. Bonds2

About 3-[4-(dimethylamino)-3-pyridinyl]prop-2-enenitrile

3-[4-(dimethylamino)-3-pyridinyl]prop-2-enenitrile (PubChem CID 174891679) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 3-[4-(dimethylamino)-3-pyridinyl]prop-2-enenitrile.

Molecular Properties

Compound Name3-[4-(dimethylamino)-3-pyridinyl]prop-2-enenitrile
PubChem CID174891679
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name3-[4-(dimethylamino)-3-pyridinyl]prop-2-enenitrile
SMILESCN(C)c1ccncc1C=CC#N
InChIInChI=1S/C10H11N3/c1-13(2)10-5-7-12-8-9(10)4-3-6-11/h3-5,7-8H,1-2H3
InChIKeyQILIUHLKRYERLQ-UHFFFAOYSA-N
XLogP1.68
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.68
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 3-[4-(dimethylamino)-3-pyridinyl]prop-2-enenitrile?
The IUPAC name of 3-[4-(dimethylamino)-3-pyridinyl]prop-2-enenitrile (CID 174891679) is 3-[4-(dimethylamino)-3-pyridinyl]prop-2-enenitrile.
What is the SMILES notation for 3-[4-(dimethylamino)-3-pyridinyl]prop-2-enenitrile?
The canonical SMILES for 3-[4-(dimethylamino)-3-pyridinyl]prop-2-enenitrile is CN(C)c1ccncc1C=CC#N.
What is the InChIKey of 3-[4-(dimethylamino)-3-pyridinyl]prop-2-enenitrile?
The InChIKey is QILIUHLKRYERLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-13(2)10-5-7-12-8-9(10)4-3-6-11/h3-5,7-8H,1-2H3.
What are the key properties of 3-[4-(dimethylamino)-3-pyridinyl]prop-2-enenitrile?
3-[4-(dimethylamino)-3-pyridinyl]prop-2-enenitrile has a molecular weight of 173.22 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)-3-pyridinyl]prop-2-enenitrile is sourced from PubChem (CID 174891679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).