4-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohex-3-en-1-ol

C13H14N2O — CID 91664681

IUPAC4-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohex-3-en-1-ol
SMILESOC1CC=C(c2cc3cccnc3[nH]2)CC1
InChIInChI=1S/C13H14N2O/c16-11-5-3-9(4-6-11)12-8-10-2-1-7-14-13(10)15-12/h1-3,7-8,11,16H,4-6H2,(H,14,15)
InChIKeyAGTHEHVVDVZQJN-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.49
Rot. Bonds1

About 4-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohex-3-en-1-ol

4-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohex-3-en-1-ol (PubChem CID 91664681) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name4-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohex-3-en-1-ol
PubChem CID91664681
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohex-3-en-1-ol
SMILESOC1CC=C(c2cc3cccnc3[nH]2)CC1
InChIInChI=1S/C13H14N2O/c16-11-5-3-9(4-6-11)12-8-10-2-1-7-14-13(10)15-12/h1-3,7-8,11,16H,4-6H2,(H,14,15)
InChIKeyAGTHEHVVDVZQJN-UHFFFAOYSA-N
XLogP2.49
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohex-3-en-1-ol?
The IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohex-3-en-1-ol (CID 91664681) is 4-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohex-3-en-1-ol.
What is the SMILES notation for 4-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohex-3-en-1-ol?
The canonical SMILES for 4-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohex-3-en-1-ol is OC1CC=C(c2cc3cccnc3[nH]2)CC1.
What is the InChIKey of 4-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohex-3-en-1-ol?
The InChIKey is AGTHEHVVDVZQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c16-11-5-3-9(4-6-11)12-8-10-2-1-7-14-13(10)15-12/h1-3,7-8,11,16H,4-6H2,(H,14,15).
What are the key properties of 4-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohex-3-en-1-ol?
4-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohex-3-en-1-ol has a molecular weight of 214.27 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohex-3-en-1-ol is sourced from PubChem (CID 91664681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).