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

C13H13N3O2 — CID 68733623

IUPAC[3-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclopent-2-en-1-yl] carbamate
SMILESNC(=O)OC1C=C(c2c[nH]c3cccnc23)CC1
InChIInChI=1S/C13H13N3O2/c14-13(17)18-9-4-3-8(6-9)10-7-16-11-2-1-5-15-12(10)11/h1-2,5-7,9,16H,3-4H2,(H2,14,17)
InChIKeyQPIQXSAUAVZWHS-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.20
Rot. Bonds2

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

[3-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclopent-2-en-1-yl] carbamate (PubChem CID 68733623) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is [3-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclopent-2-en-1-yl] carbamate.

Molecular Properties

Compound Name[3-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclopent-2-en-1-yl] carbamate
PubChem CID68733623
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name[3-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclopent-2-en-1-yl] carbamate
SMILESNC(=O)OC1C=C(c2c[nH]c3cccnc23)CC1
InChIInChI=1S/C13H13N3O2/c14-13(17)18-9-4-3-8(6-9)10-7-16-11-2-1-5-15-12(10)11/h1-2,5-7,9,16H,3-4H2,(H2,14,17)
InChIKeyQPIQXSAUAVZWHS-UHFFFAOYSA-N
XLogP2.20
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclopent-2-en-1-yl] carbamate?
The IUPAC name of [3-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclopent-2-en-1-yl] carbamate (CID 68733623) is [3-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclopent-2-en-1-yl] carbamate.
What is the SMILES notation for [3-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclopent-2-en-1-yl] carbamate?
The canonical SMILES for [3-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclopent-2-en-1-yl] carbamate is NC(=O)OC1C=C(c2c[nH]c3cccnc23)CC1.
What is the InChIKey of [3-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclopent-2-en-1-yl] carbamate?
The InChIKey is QPIQXSAUAVZWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-13(17)18-9-4-3-8(6-9)10-7-16-11-2-1-5-15-12(10)11/h1-2,5-7,9,16H,3-4H2,(H2,14,17).
What are the key properties of [3-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclopent-2-en-1-yl] carbamate?
[3-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclopent-2-en-1-yl] carbamate has a molecular weight of 243.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclopent-2-en-1-yl] carbamate is sourced from PubChem (CID 68733623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).