1-[5-[hydroxy(pyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]propan-1-one

C16H22N2O2 — CID 82340909

IUPAC1-[5-[hydroxy(pyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCC(=O)N1CCc2cc(C(O)C3CCCN3)ccc21
InChIInChI=1S/C16H22N2O2/c1-2-15(19)18-9-7-11-10-12(5-6-14(11)18)16(20)13-4-3-8-17-13/h5-6,10,13,16-17,20H,2-4,7-9H2,1H3
InChIKeyNHSJMPNFTGMYFM-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.77
Rot. Bonds3

About 1-[5-[hydroxy(pyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]propan-1-one

1-[5-[hydroxy(pyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 82340909) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[5-[hydroxy(pyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-[hydroxy(pyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID82340909
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[5-[hydroxy(pyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCC(=O)N1CCc2cc(C(O)C3CCCN3)ccc21
InChIInChI=1S/C16H22N2O2/c1-2-15(19)18-9-7-11-10-12(5-6-14(11)18)16(20)13-4-3-8-17-13/h5-6,10,13,16-17,20H,2-4,7-9H2,1H3
InChIKeyNHSJMPNFTGMYFM-UHFFFAOYSA-N
XLogP1.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 110023370
1-[5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 55981657
1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea
CID 53090025
1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 82260237
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119760453
N,N-diethyl-1-(2-pyrrolidin-2-ylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 119696154
1-[5-(piperidine-2-carbonyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 82340965
1-[5-(pyrrolidin-2-ylmethyl)-2,3-dihydroindol-1-yl]ethanone
CID 82340900
N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100758927
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55789611
N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 125059365
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470

Frequently Asked Questions

What is the IUPAC name of 1-[5-[hydroxy(pyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of 1-[5-[hydroxy(pyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]propan-1-one (CID 82340909) is 1-[5-[hydroxy(pyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for 1-[5-[hydroxy(pyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for 1-[5-[hydroxy(pyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]propan-1-one is CCC(=O)N1CCc2cc(C(O)C3CCCN3)ccc21.
What is the InChIKey of 1-[5-[hydroxy(pyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is NHSJMPNFTGMYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-15(19)18-9-7-11-10-12(5-6-14(11)18)16(20)13-4-3-8-17-13/h5-6,10,13,16-17,20H,2-4,7-9H2,1H3.
What are the key properties of 1-[5-[hydroxy(pyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]propan-1-one?
1-[5-[hydroxy(pyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 274.36 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[hydroxy(pyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 82340909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).