2-[3-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetonitrile

C19H25N3O — CID 98761490

IUPAC2-[3-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetonitrile
SMILESCCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccc(CC#N)c1
InChIInChI=1S/C19H25N3O/c1-2-21-12-4-8-17(21)18-9-5-13-22(18)19(23)16-7-3-6-15(14-16)10-11-20/h3,6-7,14,17-18H,2,4-5,8-10,12-13H2,1H3/t17-,18-/m1/s1
InChIKeyZZSVVAPLSOEUIW-QZTJIDSGSA-N
MW311.43 g/mol
LogP2.84
Rot. Bonds4

About 2-[3-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetonitrile

2-[3-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetonitrile (PubChem CID 98761490) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[3-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetonitrile
PubChem CID98761490
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-[3-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetonitrile
SMILESCCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccc(CC#N)c1
InChIInChI=1S/C19H25N3O/c1-2-21-12-4-8-17(21)18-9-5-13-22(18)19(23)16-7-3-6-15(14-16)10-11-20/h3,6-7,14,17-18H,2,4-5,8-10,12-13H2,1H3/t17-,18-/m1/s1
InChIKeyZZSVVAPLSOEUIW-QZTJIDSGSA-N
XLogP2.84
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetonitrile
CID 129427986
2-[3-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetonitrile
CID 95297980
2-[3-(2-methylpiperidine-1-carbonyl)phenyl]acetonitrile
CID 82179313
2-[3-[(2S)-2-phenacylpyrrolidine-1-carbonyl]phenyl]acetonitrile
CID 97041772
tert-butyl (2R)-1-[3-(cyanomethyl)benzoyl]pyrrolidine-2-carboxylate
CID 95973091
benzyl (2R)-1-[3-(cyanomethyl)benzoyl]pyrrolidine-2-carboxylate
CID 95233575
2-[4-[2-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-oxoethoxy]phenyl]acetonitrile
CID 95292715
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 95312023
2-[3-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholine-4-carbonyl]phenyl]acetonitrile
CID 129346739
1-[3-(cyanomethyl)benzoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113089
1-[3-(cyanomethyl)benzoyl]-2-[(sulfamoylamino)methyl]piperidine
CID 126816757
3-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]benzonitrile
CID 95303105

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetonitrile?
The IUPAC name of 2-[3-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetonitrile (CID 98761490) is 2-[3-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetonitrile.
What is the SMILES notation for 2-[3-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetonitrile?
The canonical SMILES for 2-[3-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetonitrile is CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccc(CC#N)c1.
What is the InChIKey of 2-[3-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetonitrile?
The InChIKey is ZZSVVAPLSOEUIW-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H25N3O/c1-2-21-12-4-8-17(21)18-9-5-13-22(18)19(23)16-7-3-6-15(14-16)10-11-20/h3,6-7,14,17-18H,2,4-5,8-10,12-13H2,1H3/t17-,18-/m1/s1.
What are the key properties of 2-[3-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetonitrile?
2-[3-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetonitrile has a molecular weight of 311.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetonitrile is sourced from PubChem (CID 98761490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).