2-[[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile

C20H24N4O — CID 95613093

IUPAC2-[[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile
SMILESCC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1cn2ccccc2c1C#N
InChIInChI=1S/C20H24N4O/c1-15(25)24-11-5-8-20(24)19-7-4-10-23(19)14-16-13-22-9-3-2-6-18(22)17(16)12-21/h2-3,6,9,13,19-20H,4-5,7-8,10-11,14H2,1H3/t19-,20-/m1/s1
InChIKeyITDUWOIOHTYXTD-WOJBJXKFSA-N
MW336.44 g/mol
LogP2.79
Rot. Bonds3

About 2-[[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile

2-[[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile (PubChem CID 95613093) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile
PubChem CID95613093
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-[[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile
SMILESCC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1cn2ccccc2c1C#N
InChIInChI=1S/C20H24N4O/c1-15(25)24-11-5-8-20(24)19-7-4-10-23(19)14-16-13-22-9-3-2-6-18(22)17(16)12-21/h2-3,6,9,13,19-20H,4-5,7-8,10-11,14H2,1H3/t19-,20-/m1/s1
InChIKeyITDUWOIOHTYXTD-WOJBJXKFSA-N
XLogP2.79
TPSA51.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile (CID 95613093) is 2-[[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile is CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1cn2ccccc2c1C#N.
What is the InChIKey of 2-[[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile?
The InChIKey is ITDUWOIOHTYXTD-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15(25)24-11-5-8-20(24)19-7-4-10-23(19)14-16-13-22-9-3-2-6-18(22)17(16)12-21/h2-3,6,9,13,19-20H,4-5,7-8,10-11,14H2,1H3/t19-,20-/m1/s1.
What are the key properties of 2-[[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile?
2-[[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile has a molecular weight of 336.44 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 95613093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).