N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide

C16H23N3O — CID 155947049

IUPACN-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCC1Cc2ccccc2N1CCNC(=O)N1CCCC1
InChIInChI=1S/C16H23N3O/c1-13-12-14-6-2-3-7-15(14)19(13)11-8-17-16(20)18-9-4-5-10-18/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,17,20)
InChIKeyVUVDMGIBSYBNIL-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.24
Rot. Bonds3

About N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide

N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 155947049) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID155947049
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCC1Cc2ccccc2N1CCNC(=O)N1CCCC1
InChIInChI=1S/C16H23N3O/c1-13-12-14-6-2-3-7-15(14)19(13)11-8-17-16(20)18-9-4-5-10-18/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,17,20)
InChIKeyVUVDMGIBSYBNIL-UHFFFAOYSA-N
XLogP2.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 60599643
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 78885941
2-amino-2-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide;dihydrochloride
CID 119868382
N-ethyl-N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboximidamide
CID 110955650
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]piperidine-3-carboxamide
CID 119868371
2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide
CID 60599554
1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 111337321
trans-(1R,3R)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide
CID 124688900
cis-(1R,3S)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide
CID 125120867
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]butanamide;dihydrochloride
CID 119868408
1-cyano-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 60599448
N'-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111302743

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide (CID 155947049) is N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide is CC1Cc2ccccc2N1CCNC(=O)N1CCCC1.
What is the InChIKey of N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is VUVDMGIBSYBNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13-12-14-6-2-3-7-15(14)19(13)11-8-17-16(20)18-9-4-5-10-18/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,17,20).
What are the key properties of N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide?
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 155947049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).