(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide

C16H22N2O — CID 9275055

IUPAC(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide
SMILESC[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCCC1
InChIInChI=1S/C16H22N2O/c1-12(18-9-2-3-10-18)16(19)17-15-8-7-13-5-4-6-14(13)11-15/h7-8,11-12H,2-6,9-10H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyXCSYUWSTUWZXHX-LBPRGKRZSA-N
MW258.36 g/mol
LogP2.60
Rot. Bonds3

About (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide

(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide (PubChem CID 9275055) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide
PubChem CID9275055
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide
SMILESC[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCCC1
InChIInChI=1S/C16H22N2O/c1-12(18-9-2-3-10-18)16(19)17-15-8-7-13-5-4-6-14(13)11-15/h7-8,11-12H,2-6,9-10H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyXCSYUWSTUWZXHX-LBPRGKRZSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
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(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
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(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 1439451
(2R)-2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 30635720
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
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(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide
CID 94784927
(2S)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 9318484
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
2-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide
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2-(azepan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide (CID 9275055) is (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide is C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCCC1.
What is the InChIKey of (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide?
The InChIKey is XCSYUWSTUWZXHX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12(18-9-2-3-10-18)16(19)17-15-8-7-13-5-4-6-14(13)11-15/h7-8,11-12H,2-6,9-10H2,1H3,(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide?
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide has a molecular weight of 258.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 9275055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).