3,3-dimethyl-1-prop-2-enylpyrrolidine-2-carbonitrile

C10H16N2 — CID 102030228

IUPAC3,3-dimethyl-1-prop-2-enylpyrrolidine-2-carbonitrile
SMILESC=CCN1CCC(C)(C)C1C#N
InChIInChI=1S/C10H16N2/c1-4-6-12-7-5-10(2,3)9(12)8-11/h4,9H,1,5-7H2,2-3H3
InChIKeyVGMBYYGWHJMIKN-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.80
Rot. Bonds2

About 3,3-dimethyl-1-prop-2-enylpyrrolidine-2-carbonitrile

3,3-dimethyl-1-prop-2-enylpyrrolidine-2-carbonitrile (PubChem CID 102030228) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3,3-dimethyl-1-prop-2-enylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name3,3-dimethyl-1-prop-2-enylpyrrolidine-2-carbonitrile
PubChem CID102030228
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3,3-dimethyl-1-prop-2-enylpyrrolidine-2-carbonitrile
SMILESC=CCN1CCC(C)(C)C1C#N
InChIInChI=1S/C10H16N2/c1-4-6-12-7-5-10(2,3)9(12)8-11/h4,9H,1,5-7H2,2-3H3
InChIKeyVGMBYYGWHJMIKN-UHFFFAOYSA-N
XLogP1.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-prop-2-enylpyrrolidine-2-carbonitrile?
The IUPAC name of 3,3-dimethyl-1-prop-2-enylpyrrolidine-2-carbonitrile (CID 102030228) is 3,3-dimethyl-1-prop-2-enylpyrrolidine-2-carbonitrile.
What is the SMILES notation for 3,3-dimethyl-1-prop-2-enylpyrrolidine-2-carbonitrile?
The canonical SMILES for 3,3-dimethyl-1-prop-2-enylpyrrolidine-2-carbonitrile is C=CCN1CCC(C)(C)C1C#N.
What is the InChIKey of 3,3-dimethyl-1-prop-2-enylpyrrolidine-2-carbonitrile?
The InChIKey is VGMBYYGWHJMIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-6-12-7-5-10(2,3)9(12)8-11/h4,9H,1,5-7H2,2-3H3.
What are the key properties of 3,3-dimethyl-1-prop-2-enylpyrrolidine-2-carbonitrile?
3,3-dimethyl-1-prop-2-enylpyrrolidine-2-carbonitrile has a molecular weight of 164.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-prop-2-enylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 102030228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).