2-(2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone

C20H26N2O2 — CID 10449078

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
SMILESO=C([C@@H]1CCCN1C(=O)CC1Cc2ccccc2C1)N1CCCC1
InChIInChI=1S/C20H26N2O2/c23-19(14-15-12-16-6-1-2-7-17(16)13-15)22-11-5-8-18(22)20(24)21-9-3-4-10-21/h1-2,6-7,15,18H,3-5,8-14H2/t18-/m0/s1
InChIKeySUPHKXCIZNFXDF-SFHVURJKSA-N
MW326.44 g/mol
LogP2.40
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone

2-(2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone (PubChem CID 10449078) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
PubChem CID10449078
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
SMILESO=C([C@@H]1CCCN1C(=O)CC1Cc2ccccc2C1)N1CCCC1
InChIInChI=1S/C20H26N2O2/c23-19(14-15-12-16-6-1-2-7-17(16)13-15)22-11-5-8-18(22)20(24)21-9-3-4-10-21/h1-2,6-7,15,18H,3-5,8-14H2/t18-/m0/s1
InChIKeySUPHKXCIZNFXDF-SFHVURJKSA-N
XLogP2.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone (CID 10449078) is 2-(2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone is O=C([C@@H]1CCCN1C(=O)CC1Cc2ccccc2C1)N1CCCC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone?
The InChIKey is SUPHKXCIZNFXDF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-19(14-15-12-16-6-1-2-7-17(16)13-15)22-11-5-8-18(22)20(24)21-9-3-4-10-21/h1-2,6-7,15,18H,3-5,8-14H2/t18-/m0/s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone?
2-(2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone has a molecular weight of 326.44 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 10449078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).