2,3-dihydro-1H-inden-2-yl(pyrrolidin-1-yl)methanone

C14H17NO — CID 2821668

IUPAC2,3-dihydro-1H-inden-2-yl(pyrrolidin-1-yl)methanone
SMILESO=C(C1Cc2ccccc2C1)N1CCCC1
InChIInChI=1S/C14H17NO/c16-14(15-7-3-4-8-15)13-9-11-5-1-2-6-12(11)10-13/h1-2,5-6,13H,3-4,7-10H2
InChIKeySLOQAZFIXNWZGK-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.02
Rot. Bonds1

About 2,3-dihydro-1H-inden-2-yl(pyrrolidin-1-yl)methanone

2,3-dihydro-1H-inden-2-yl(pyrrolidin-1-yl)methanone (PubChem CID 2821668) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl(pyrrolidin-1-yl)methanone
PubChem CID2821668
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2,3-dihydro-1H-inden-2-yl(pyrrolidin-1-yl)methanone
SMILESO=C(C1Cc2ccccc2C1)N1CCCC1
InChIInChI=1S/C14H17NO/c16-14(15-7-3-4-8-15)13-9-11-5-1-2-6-12(11)10-13/h1-2,5-6,13H,3-4,7-10H2
InChIKeySLOQAZFIXNWZGK-UHFFFAOYSA-N
XLogP2.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl(pyrrolidin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl(pyrrolidin-1-yl)methanone (CID 2821668) is 2,3-dihydro-1H-inden-2-yl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl(pyrrolidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl(pyrrolidin-1-yl)methanone is O=C(C1Cc2ccccc2C1)N1CCCC1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl(pyrrolidin-1-yl)methanone?
The InChIKey is SLOQAZFIXNWZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c16-14(15-7-3-4-8-15)13-9-11-5-1-2-6-12(11)10-13/h1-2,5-6,13H,3-4,7-10H2.
What are the key properties of 2,3-dihydro-1H-inden-2-yl(pyrrolidin-1-yl)methanone?
2,3-dihydro-1H-inden-2-yl(pyrrolidin-1-yl)methanone has a molecular weight of 215.30 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 2821668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).