N-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopent-2-en-1-yl]methyl]ethanamine

C15H19N3 — CID 171510299

IUPACN-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopent-2-en-1-yl]methyl]ethanamine
SMILESCCNCC1CCC=C1c1c[nH]c2ncccc12
InChIInChI=1S/C15H19N3/c1-2-16-9-11-5-3-6-12(11)14-10-18-15-13(14)7-4-8-17-15/h4,6-8,10-11,16H,2-3,5,9H2,1H3,(H,17,18)
InChIKeySFSAWBODFRTALE-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.97
Rot. Bonds4

About N-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopent-2-en-1-yl]methyl]ethanamine

N-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopent-2-en-1-yl]methyl]ethanamine (PubChem CID 171510299) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopent-2-en-1-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopent-2-en-1-yl]methyl]ethanamine
PubChem CID171510299
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopent-2-en-1-yl]methyl]ethanamine
SMILESCCNCC1CCC=C1c1c[nH]c2ncccc12
InChIInChI=1S/C15H19N3/c1-2-16-9-11-5-3-6-12(11)14-10-18-15-13(14)7-4-8-17-15/h4,6-8,10-11,16H,2-3,5,9H2,1H3,(H,17,18)
InChIKeySFSAWBODFRTALE-UHFFFAOYSA-N
XLogP2.97
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3S)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 171510288
3-(8-azabicyclo[3.2.1]oct-2-en-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 168995048
N-ethyl-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 141065993
3-(1-methyl-2,5-dihydropyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 58349740
ethane;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 142023556
3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 175782285
3-(azetidin-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 55293524
3-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 58087873
ethane;1H-pyrrolo[2,3-b]pyridin-3-amine
CID 142426313
N,N-diethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide
CID 31843631
3-[(3S)-1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
CID 170328773
3-(1-cyclohexylpropyl)-1H-pyrrolo[2,3-b]pyridine
CID 174572842

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopent-2-en-1-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopent-2-en-1-yl]methyl]ethanamine (CID 171510299) is N-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopent-2-en-1-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopent-2-en-1-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopent-2-en-1-yl]methyl]ethanamine is CCNCC1CCC=C1c1c[nH]c2ncccc12.
What is the InChIKey of N-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopent-2-en-1-yl]methyl]ethanamine?
The InChIKey is SFSAWBODFRTALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-16-9-11-5-3-6-12(11)14-10-18-15-13(14)7-4-8-17-15/h4,6-8,10-11,16H,2-3,5,9H2,1H3,(H,17,18).
What are the key properties of N-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopent-2-en-1-yl]methyl]ethanamine?
N-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopent-2-en-1-yl]methyl]ethanamine has a molecular weight of 241.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopent-2-en-1-yl]methyl]ethanamine is sourced from PubChem (CID 171510299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).