2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone

C14H18N2O — CID 76895982

IUPAC2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2Cc3ccccc3N2)C1
InChIInChI=1S/C14H18N2O/c1-10-6-7-16(9-10)14(17)13-8-11-4-2-3-5-12(11)15-13/h2-5,10,13,15H,6-9H2,1H3
InChIKeyVFKWJLLOVNSZIS-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.89
Rot. Bonds1

About 2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone

2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 76895982) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone
PubChem CID76895982
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2Cc3ccccc3N2)C1
InChIInChI=1S/C14H18N2O/c1-10-6-7-16(9-10)14(17)13-8-11-4-2-3-5-12(11)15-13/h2-5,10,13,15H,6-9H2,1H3
InChIKeyVFKWJLLOVNSZIS-UHFFFAOYSA-N
XLogP1.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 77002747
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 124591728
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220795
[(2S)-2,3-dihydro-1H-indol-2-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64597075
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 124574751
2,3-dihydro-1H-indol-2-yl-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 77002717
(4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone
CID 62084353
2,3-dihydro-1H-indol-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 120630609
[(2S)-2,3-dihydro-1H-indol-2-yl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203555
1-[4-(2,3-dihydro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 76912181
[(2R)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 124591695

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone (CID 76895982) is 2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)C2Cc3ccccc3N2)C1.
What is the InChIKey of 2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is VFKWJLLOVNSZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-6-7-16(9-10)14(17)13-8-11-4-2-3-5-12(11)15-13/h2-5,10,13,15H,6-9H2,1H3.
What are the key properties of 2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone?
2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 230.31 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 76895982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).