1-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]pent-4-en-1-one

C19H24N2O — CID 162720614

IUPAC1-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]pent-4-en-1-one
SMILESC=CCCC(=O)n1cc(CCN2CCCC2)c2ccccc21
InChIInChI=1S/C19H24N2O/c1-2-3-10-19(22)21-15-16(11-14-20-12-6-7-13-20)17-8-4-5-9-18(17)21/h2,4-5,8-9,15H,1,3,6-7,10-14H2
InChIKeyFMJXFTFBMDFVCI-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.89
Rot. Bonds6

About 1-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]pent-4-en-1-one

1-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]pent-4-en-1-one (PubChem CID 162720614) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]pent-4-en-1-one.

Molecular Properties

Compound Name1-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]pent-4-en-1-one
PubChem CID162720614
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]pent-4-en-1-one
SMILESC=CCCC(=O)n1cc(CCN2CCCC2)c2ccccc21
InChIInChI=1S/C19H24N2O/c1-2-3-10-19(22)21-15-16(11-14-20-12-6-7-13-20)17-8-4-5-9-18(17)21/h2,4-5,8-9,15H,1,3,6-7,10-14H2
InChIKeyFMJXFTFBMDFVCI-UHFFFAOYSA-N
XLogP3.89
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-amino-2-methylpropyl)indol-1-yl]pent-4-en-1-one
CID 162720615
phenyl-[3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]methanone
CID 173457888
1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]pent-4-en-1-one
CID 10525433
[3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]indol-1-yl]-(4-methylphenyl)methanone
CID 1477637
2-[1-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]indol-3-yl]acetic acid
CID 66690919
2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid
CID 28783033
prop-2-enyl 1-[4,7-dioxo-7-(3-prop-2-enoxycarbonylindol-1-yl)heptanoyl]indole-3-carboxylate
CID 102585403
2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid
CID 61493986
1-carbazol-9-yl-6-pyrrolidin-1-ylhexan-1-one;hydrochloride
CID 122483263
1-[3-[2-(dimethylamino)ethyl]indol-1-yl]hexadecan-1-one
CID 166138506
methyl 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-4-oxobutanoate
CID 166467362
1-[3-[2-(dimethylamino)ethyl]indol-1-yl]octadecan-1-one
CID 166138351

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]pent-4-en-1-one?
The IUPAC name of 1-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]pent-4-en-1-one (CID 162720614) is 1-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]pent-4-en-1-one.
What is the SMILES notation for 1-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]pent-4-en-1-one?
The canonical SMILES for 1-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]pent-4-en-1-one is C=CCCC(=O)n1cc(CCN2CCCC2)c2ccccc21.
What is the InChIKey of 1-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]pent-4-en-1-one?
The InChIKey is FMJXFTFBMDFVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-3-10-19(22)21-15-16(11-14-20-12-6-7-13-20)17-8-4-5-9-18(17)21/h2,4-5,8-9,15H,1,3,6-7,10-14H2.
What are the key properties of 1-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]pent-4-en-1-one?
1-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]pent-4-en-1-one has a molecular weight of 296.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]pent-4-en-1-one is sourced from PubChem (CID 162720614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).