1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride

C16H21ClN2O — CID 21270044

IUPAC1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
SMILESCl.Cn1cc(C(=O)CCN2CCCC2)c2ccccc21
InChIInChI=1S/C16H20N2O.ClH/c1-17-12-14(13-6-2-3-7-15(13)17)16(19)8-11-18-9-4-5-10-18;/h2-3,6-7,12H,4-5,8-11H2,1H3;1H
InChIKeyOMKDWXFEBFSCPU-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.27
Rot. Bonds4

About 1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride

1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride (PubChem CID 21270044) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
PubChem CID21270044
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
SMILESCl.Cn1cc(C(=O)CCN2CCCC2)c2ccccc21
InChIInChI=1S/C16H20N2O.ClH/c1-17-12-14(13-6-2-3-7-15(13)17)16(19)8-11-18-9-4-5-10-18;/h2-3,6-7,12H,4-5,8-11H2,1H3;1H
InChIKeyOMKDWXFEBFSCPU-UHFFFAOYSA-N
XLogP3.27
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1-(1-methylindol-3-yl)propan-1-one
CID 174243239
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
1-(1-methylindol-3-yl)octan-1-one
CID 43340220
1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050959
3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one
CID 139708502
2-cyclohexyl-1-(1-methylindol-3-yl)ethanone
CID 43161950
1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylprop-2-yn-1-one
CID 116825635
1-(1-propan-2-ylindol-3-yl)-3-(2-pyrrolidin-1-ylethylamino)propan-1-one
CID 90300339
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one
CID 10429753
1-methylindole-3-carbothioic S-acid
CID 116918837
2-anilino-1-(1-methylindol-3-yl)ethanone
CID 110655426

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride (CID 21270044) is 1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride is Cl.Cn1cc(C(=O)CCN2CCCC2)c2ccccc21.
What is the InChIKey of 1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride?
The InChIKey is OMKDWXFEBFSCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O.ClH/c1-17-12-14(13-6-2-3-7-15(13)17)16(19)8-11-18-9-4-5-10-18;/h2-3,6-7,12H,4-5,8-11H2,1H3;1H.
What are the key properties of 1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride?
1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 21270044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).