1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylhexan-1-one

C19H27NO — CID 132989236

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylhexan-1-one
SMILESCCCCC(C(=O)c1ccc2c(c1)CCC2)N1CCCC1
InChIInChI=1S/C19H27NO/c1-2-3-9-18(20-12-4-5-13-20)19(21)17-11-10-15-7-6-8-16(15)14-17/h10-11,14,18H,2-9,12-13H2,1H3
InChIKeyWETQQOQCDBNIKE-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.01
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylhexan-1-one

1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylhexan-1-one (PubChem CID 132989236) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylhexan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylhexan-1-one
PubChem CID132989236
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylhexan-1-one
SMILESCCCCC(C(=O)c1ccc2c(c1)CCC2)N1CCCC1
InChIInChI=1S/C19H27NO/c1-2-3-9-18(20-12-4-5-13-20)19(21)17-11-10-15-7-6-8-16(15)14-17/h10-11,14,18H,2-9,12-13H2,1H3
InChIKeyWETQQOQCDBNIKE-UHFFFAOYSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylhexan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylhexan-1-one (CID 132989236) is 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylhexan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylhexan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylhexan-1-one is CCCCC(C(=O)c1ccc2c(c1)CCC2)N1CCCC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylhexan-1-one?
The InChIKey is WETQQOQCDBNIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-2-3-9-18(20-12-4-5-13-20)19(21)17-11-10-15-7-6-8-16(15)14-17/h10-11,14,18H,2-9,12-13H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylhexan-1-one?
1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylhexan-1-one has a molecular weight of 285.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylhexan-1-one is sourced from PubChem (CID 132989236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).