(2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)acetyl]pyrrolidine-2-carbonitrile

C16H19N3O — CID 10923589

IUPAC(2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)CNC1Cc2ccccc2C1
InChIInChI=1S/C16H19N3O/c17-10-15-6-3-7-19(15)16(20)11-18-14-8-12-4-1-2-5-13(12)9-14/h1-2,4-5,14-15,18H,3,6-9,11H2/t15-/m0/s1
InChIKeyHOUBYLHOXLBMIT-HNNXBMFYSA-N
MW269.35 g/mol
LogP1.26
Rot. Bonds3

About (2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)acetyl]pyrrolidine-2-carbonitrile

(2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)acetyl]pyrrolidine-2-carbonitrile (PubChem CID 10923589) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)acetyl]pyrrolidine-2-carbonitrile
PubChem CID10923589
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)CNC1Cc2ccccc2C1
InChIInChI=1S/C16H19N3O/c17-10-15-6-3-7-19(15)16(20)11-18-14-8-12-4-1-2-5-13(12)9-14/h1-2,4-5,14-15,18H,3,6-9,11H2/t15-/m0/s1
InChIKeyHOUBYLHOXLBMIT-HNNXBMFYSA-N
XLogP1.26
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)acetyl]pyrrolidine-2-carbonitrile (CID 10923589) is (2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)acetyl]pyrrolidine-2-carbonitrile is N#C[C@@H]1CCCN1C(=O)CNC1Cc2ccccc2C1.
What is the InChIKey of (2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is HOUBYLHOXLBMIT-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-10-15-6-3-7-19(15)16(20)11-18-14-8-12-4-1-2-5-13(12)9-14/h1-2,4-5,14-15,18H,3,6-9,11H2/t15-/m0/s1.
What are the key properties of (2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)acetyl]pyrrolidine-2-carbonitrile?
(2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 10923589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).