1-(2,3-dihydro-1H-inden-5-yl)-4-pyrrolidin-3-ylbutan-2-one

C17H23NO — CID 116606081

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-4-pyrrolidin-3-ylbutan-2-one
SMILESO=C(CCC1CCNC1)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C17H23NO/c19-17(7-5-13-8-9-18-12-13)11-14-4-6-15-2-1-3-16(15)10-14/h4,6,10,13,18H,1-3,5,7-9,11-12H2
InChIKeyQVTYEEHEKFMUFE-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.68
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-4-pyrrolidin-3-ylbutan-2-one

1-(2,3-dihydro-1H-inden-5-yl)-4-pyrrolidin-3-ylbutan-2-one (PubChem CID 116606081) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-4-pyrrolidin-3-ylbutan-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-4-pyrrolidin-3-ylbutan-2-one
PubChem CID116606081
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-4-pyrrolidin-3-ylbutan-2-one
SMILESO=C(CCC1CCNC1)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C17H23NO/c19-17(7-5-13-8-9-18-12-13)11-14-4-6-15-2-1-3-16(15)10-14/h4,6,10,13,18H,1-3,5,7-9,11-12H2
InChIKeyQVTYEEHEKFMUFE-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606064
N-(2-pyrrolidin-3-ylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119537103
1-(4-hydroxyphenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606055
1-(4-bromophenyl)-4-piperidin-3-ylbutan-2-one
CID 116562297
1-(2,3-dihydro-1H-inden-5-yl)-4-methylsulfanylbutan-2-one
CID 105103817
1-(2-bromo-4-fluorophenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116605919
1-(4-bromo-2-fluorophenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606101
6-amino-1-(2,3-dihydro-1H-inden-5-yl)hexan-2-one
CID 116572068
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 23294446
1-[1-(aminomethyl)cyclobutyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 116599561
4-piperidin-4-yl-1-(4-propan-2-ylphenyl)butan-2-one
CID 116563481
1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 116614445

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-pyrrolidin-3-ylbutan-2-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-pyrrolidin-3-ylbutan-2-one (CID 116606081) is 1-(2,3-dihydro-1H-inden-5-yl)-4-pyrrolidin-3-ylbutan-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-4-pyrrolidin-3-ylbutan-2-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-4-pyrrolidin-3-ylbutan-2-one is O=C(CCC1CCNC1)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-4-pyrrolidin-3-ylbutan-2-one?
The InChIKey is QVTYEEHEKFMUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c19-17(7-5-13-8-9-18-12-13)11-14-4-6-15-2-1-3-16(15)10-14/h4,6,10,13,18H,1-3,5,7-9,11-12H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-4-pyrrolidin-3-ylbutan-2-one?
1-(2,3-dihydro-1H-inden-5-yl)-4-pyrrolidin-3-ylbutan-2-one has a molecular weight of 257.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 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)-4-pyrrolidin-3-ylbutan-2-one is sourced from PubChem (CID 116606081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).