(3-pentyl-2,3-dihydroindol-1-yl)-[(2S)-pyrrolidin-2-yl]methanone

C18H26N2O — CID 67614317

IUPAC(3-pentyl-2,3-dihydroindol-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
SMILESCCCCCC1CN(C(=O)[C@@H]2CCCN2)c2ccccc21
InChIInChI=1S/C18H26N2O/c1-2-3-4-8-14-13-20(17-11-6-5-9-15(14)17)18(21)16-10-7-12-19-16/h5-6,9,11,14,16,19H,2-4,7-8,10,12-13H2,1H3/t14?,16-/m0/s1
InChIKeyUBQQEUYTLRJLJS-WMCAAGNKSA-N
MW286.42 g/mol
LogP3.45
Rot. Bonds5

About (3-pentyl-2,3-dihydroindol-1-yl)-[(2S)-pyrrolidin-2-yl]methanone

(3-pentyl-2,3-dihydroindol-1-yl)-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 67614317) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (3-pentyl-2,3-dihydroindol-1-yl)-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(3-pentyl-2,3-dihydroindol-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID67614317
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(3-pentyl-2,3-dihydroindol-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
SMILESCCCCCC1CN(C(=O)[C@@H]2CCCN2)c2ccccc21
InChIInChI=1S/C18H26N2O/c1-2-3-4-8-14-13-20(17-11-6-5-9-15(14)17)18(21)16-10-7-12-19-16/h5-6,9,11,14,16,19H,2-4,7-8,10,12-13H2,1H3/t14?,16-/m0/s1
InChIKeyUBQQEUYTLRJLJS-WMCAAGNKSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-pentyl-2,3-dihydroindol-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 67614316
2-[1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80573569
tert-butyl 3-hexyl-2,3-dihydroindole-1-carboxylate
CID 171661748
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone
CID 63522655
methyl 2-[1-(2-oxopiperidine-3-carbonyl)-2,3-dihydroindol-3-yl]acetate
CID 146137347
1-[2-[(3R)-1-[(3S)-morpholine-3-carbonyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 124702543
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 63235305
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 63235471
2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid
CID 79024077
1-(3-ethyl-2,3-dihydroindol-1-yl)butan-1-one
CID 71107498
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 42587064
5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 58420594

Frequently Asked Questions

What is the IUPAC name of (3-pentyl-2,3-dihydroindol-1-yl)-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of (3-pentyl-2,3-dihydroindol-1-yl)-[(2S)-pyrrolidin-2-yl]methanone (CID 67614317) is (3-pentyl-2,3-dihydroindol-1-yl)-[(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for (3-pentyl-2,3-dihydroindol-1-yl)-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for (3-pentyl-2,3-dihydroindol-1-yl)-[(2S)-pyrrolidin-2-yl]methanone is CCCCCC1CN(C(=O)[C@@H]2CCCN2)c2ccccc21.
What is the InChIKey of (3-pentyl-2,3-dihydroindol-1-yl)-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is UBQQEUYTLRJLJS-WMCAAGNKSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-3-4-8-14-13-20(17-11-6-5-9-15(14)17)18(21)16-10-7-12-19-16/h5-6,9,11,14,16,19H,2-4,7-8,10,12-13H2,1H3/t14?,16-/m0/s1.
What are the key properties of (3-pentyl-2,3-dihydroindol-1-yl)-[(2S)-pyrrolidin-2-yl]methanone?
(3-pentyl-2,3-dihydroindol-1-yl)-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 286.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pentyl-2,3-dihydroindol-1-yl)-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 67614317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).