(5-methoxy-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride

C14H19ClN2O2 — CID 119760457

IUPAC(5-methoxy-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCOc1ccc2c(c1)CCN2C(=O)C1CCNC1.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-18-12-2-3-13-10(8-12)5-7-16(13)14(17)11-4-6-15-9-11;/h2-3,8,11,15H,4-7,9H2,1H3;1H
InChIKeyPABMKNPDIBQCAX-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.62
Rot. Bonds2

About (5-methoxy-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride

(5-methoxy-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride (PubChem CID 119760457) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (5-methoxy-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(5-methoxy-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
PubChem CID119760457
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(5-methoxy-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCOc1ccc2c(c1)CCN2C(=O)C1CCNC1.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-18-12-2-3-13-10(8-12)5-7-16(13)14(17)11-4-6-15-9-11;/h2-3,8,11,15H,4-7,9H2,1H3;1H
InChIKeyPABMKNPDIBQCAX-UHFFFAOYSA-N
XLogP1.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-piperidin-4-ylmethanone
CID 61261030
5-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 110742280
(5-bromo-2,3-dihydroindol-1-yl)-piperidin-3-ylmethanone
CID 119280350
(5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone
CID 110714045
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119269291
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119760453
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
N,N-diethyl-1-(piperidine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 119274837
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 119310076
1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157417
(6-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone
CID 175322800
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119678710

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride?
The IUPAC name of (5-methoxy-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride (CID 119760457) is (5-methoxy-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride.
What is the SMILES notation for (5-methoxy-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride?
The canonical SMILES for (5-methoxy-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride is COc1ccc2c(c1)CCN2C(=O)C1CCNC1.Cl.
What is the InChIKey of (5-methoxy-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride?
The InChIKey is PABMKNPDIBQCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c1-18-12-2-3-13-10(8-12)5-7-16(13)14(17)11-4-6-15-9-11;/h2-3,8,11,15H,4-7,9H2,1H3;1H.
What are the key properties of (5-methoxy-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride?
(5-methoxy-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119760457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).