1-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile

C15H25N3O — CID 71927880

IUPAC1-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESCCC1CN(C(=O)C2(C#N)CCCC2)CC1N(C)C
InChIInChI=1S/C15H25N3O/c1-4-12-9-18(10-13(12)17(2)3)14(19)15(11-16)7-5-6-8-15/h12-13H,4-10H2,1-3H3
InChIKeyVGTOQZODRUWDMY-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.87
Rot. Bonds3

About 1-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile

1-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile (PubChem CID 71927880) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile
PubChem CID71927880
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESCCC1CN(C(=O)C2(C#N)CCCC2)CC1N(C)C
InChIInChI=1S/C15H25N3O/c1-4-12-9-18(10-13(12)17(2)3)14(19)15(11-16)7-5-6-8-15/h12-13H,4-10H2,1-3H3
InChIKeyVGTOQZODRUWDMY-UHFFFAOYSA-N
XLogP1.87
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile (CID 71927880) is 1-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile is CCC1CN(C(=O)C2(C#N)CCCC2)CC1N(C)C.
What is the InChIKey of 1-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile?
The InChIKey is VGTOQZODRUWDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-12-9-18(10-13(12)17(2)3)14(19)15(11-16)7-5-6-8-15/h12-13H,4-10H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile?
1-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile has a molecular weight of 263.38 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 71927880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).