4-(1-cyanopropan-2-yl)-2,3-dihydropyridine-2-carbonitrile

C10H11N3 — CID 126663675

IUPAC4-(1-cyanopropan-2-yl)-2,3-dihydropyridine-2-carbonitrile
SMILESCC(CC#N)C1=CC=NC(C#N)C1
InChIInChI=1S/C10H11N3/c1-8(2-4-11)9-3-5-13-10(6-9)7-12/h3,5,8,10H,2,6H2,1H3
InChIKeyOTPWRWDOAXHSNK-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.83
Rot. Bonds2

About 4-(1-cyanopropan-2-yl)-2,3-dihydropyridine-2-carbonitrile

4-(1-cyanopropan-2-yl)-2,3-dihydropyridine-2-carbonitrile (PubChem CID 126663675) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-(1-cyanopropan-2-yl)-2,3-dihydropyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(1-cyanopropan-2-yl)-2,3-dihydropyridine-2-carbonitrile
PubChem CID126663675
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-(1-cyanopropan-2-yl)-2,3-dihydropyridine-2-carbonitrile
SMILESCC(CC#N)C1=CC=NC(C#N)C1
InChIInChI=1S/C10H11N3/c1-8(2-4-11)9-3-5-13-10(6-9)7-12/h3,5,8,10H,2,6H2,1H3
InChIKeyOTPWRWDOAXHSNK-UHFFFAOYSA-N
XLogP1.83
TPSA59.94 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 ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyanopropan-2-yl)-2,3-dihydropyridine-2-carbonitrile?
The IUPAC name of 4-(1-cyanopropan-2-yl)-2,3-dihydropyridine-2-carbonitrile (CID 126663675) is 4-(1-cyanopropan-2-yl)-2,3-dihydropyridine-2-carbonitrile.
What is the SMILES notation for 4-(1-cyanopropan-2-yl)-2,3-dihydropyridine-2-carbonitrile?
The canonical SMILES for 4-(1-cyanopropan-2-yl)-2,3-dihydropyridine-2-carbonitrile is CC(CC#N)C1=CC=NC(C#N)C1.
What is the InChIKey of 4-(1-cyanopropan-2-yl)-2,3-dihydropyridine-2-carbonitrile?
The InChIKey is OTPWRWDOAXHSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-8(2-4-11)9-3-5-13-10(6-9)7-12/h3,5,8,10H,2,6H2,1H3.
What are the key properties of 4-(1-cyanopropan-2-yl)-2,3-dihydropyridine-2-carbonitrile?
4-(1-cyanopropan-2-yl)-2,3-dihydropyridine-2-carbonitrile has a molecular weight of 173.22 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyanopropan-2-yl)-2,3-dihydropyridine-2-carbonitrile is sourced from PubChem (CID 126663675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).