5-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile

C10H18N2 — CID 83845917

IUPAC5-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile
SMILESCCC1CC(C#N)CN1C(C)C
InChIInChI=1S/C10H18N2/c1-4-10-5-9(6-11)7-12(10)8(2)3/h8-10H,4-5,7H2,1-3H3
InChIKeyYVPOSAMHWZAOIW-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.02
Rot. Bonds2

About 5-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile

5-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile (PubChem CID 83845917) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 5-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name5-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile
PubChem CID83845917
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name5-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile
SMILESCCC1CC(C#N)CN1C(C)C
InChIInChI=1S/C10H18N2/c1-4-10-5-9(6-11)7-12(10)8(2)3/h8-10H,4-5,7H2,1-3H3
InChIKeyYVPOSAMHWZAOIW-UHFFFAOYSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile?
The IUPAC name of 5-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile (CID 83845917) is 5-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile.
What is the SMILES notation for 5-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile?
The canonical SMILES for 5-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile is CCC1CC(C#N)CN1C(C)C.
What is the InChIKey of 5-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile?
The InChIKey is YVPOSAMHWZAOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-10-5-9(6-11)7-12(10)8(2)3/h8-10H,4-5,7H2,1-3H3.
What are the key properties of 5-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile?
5-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile has a molecular weight of 166.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 83845917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).