1-[3-(aminomethyl)-2-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-1-yl]ethanone

C16H22N2O — CID 82623646

IUPAC1-[3-(aminomethyl)-2-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CN)C1c1ccc2c(c1)CCC2
InChIInChI=1S/C16H22N2O/c1-11(19)18-8-7-15(10-17)16(18)14-6-5-12-3-2-4-13(12)9-14/h5-6,9,15-16H,2-4,7-8,10,17H2,1H3
InChIKeyIVOZLZXNKQKPKV-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.04
Rot. Bonds2

About 1-[3-(aminomethyl)-2-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-1-yl]ethanone

1-[3-(aminomethyl)-2-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 82623646) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-2-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(aminomethyl)-2-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID82623646
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-[3-(aminomethyl)-2-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CN)C1c1ccc2c(c1)CCC2
InChIInChI=1S/C16H22N2O/c1-11(19)18-8-7-15(10-17)16(18)14-6-5-12-3-2-4-13(12)9-14/h5-6,9,15-16H,2-4,7-8,10,17H2,1H3
InChIKeyIVOZLZXNKQKPKV-UHFFFAOYSA-N
XLogP2.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)-2-(2-methoxy-5-methylphenyl)pyrrolidin-1-yl]ethanone
CID 82624293
tert-butyl 3-(aminomethyl)-2-(4-methylphenyl)pyrrolidine-1-carboxylate
CID 84814865
[(1R,3R)-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylcyclopropyl]methanamine
CID 178197685
[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpiperidin-3-yl]methanamine
CID 82622553
1-[2-(aminomethyl)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 119466651
2-[4-(2,3-dihydro-1H-inden-5-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 82306781
(2S,3R)-1-acetyl-2-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 56926799
1-(2,3-dihydro-1H-indene-5-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775363
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110767307
1-acetyl-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide
CID 6468881
5-(2,3-dihydro-1H-inden-5-yl)-1,3-diazinane-2,4,6-trione
CID 70201313
[2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine
CID 114077559

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-2-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-(aminomethyl)-2-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-1-yl]ethanone (CID 82623646) is 1-[3-(aminomethyl)-2-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(aminomethyl)-2-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(aminomethyl)-2-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(CN)C1c1ccc2c(c1)CCC2.
What is the InChIKey of 1-[3-(aminomethyl)-2-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is IVOZLZXNKQKPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(19)18-8-7-15(10-17)16(18)14-6-5-12-3-2-4-13(12)9-14/h5-6,9,15-16H,2-4,7-8,10,17H2,1H3.
What are the key properties of 1-[3-(aminomethyl)-2-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-1-yl]ethanone?
1-[3-(aminomethyl)-2-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 258.36 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-2-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 82623646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).