1-(4H-thiochromeno[4,3-b]pyrrol-1-yl)propan-2-ol

C14H15NOS — CID 19036598

IUPAC1-(4H-thiochromeno[4,3-b]pyrrol-1-yl)propan-2-ol
SMILESCC(O)Cn1ccc2c1-c1ccccc1SC2
InChIInChI=1S/C14H15NOS/c1-10(16)8-15-7-6-11-9-17-13-5-3-2-4-12(13)14(11)15/h2-7,10,16H,8-9H2,1H3
InChIKeyNUCPYRXQJYJFKF-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.14
Rot. Bonds2

About 1-(4H-thiochromeno[4,3-b]pyrrol-1-yl)propan-2-ol

1-(4H-thiochromeno[4,3-b]pyrrol-1-yl)propan-2-ol (PubChem CID 19036598) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-(4H-thiochromeno[4,3-b]pyrrol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4H-thiochromeno[4,3-b]pyrrol-1-yl)propan-2-ol
PubChem CID19036598
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name1-(4H-thiochromeno[4,3-b]pyrrol-1-yl)propan-2-ol
SMILESCC(O)Cn1ccc2c1-c1ccccc1SC2
InChIInChI=1S/C14H15NOS/c1-10(16)8-15-7-6-11-9-17-13-5-3-2-4-12(13)14(11)15/h2-7,10,16H,8-9H2,1H3
InChIKeyNUCPYRXQJYJFKF-UHFFFAOYSA-N
XLogP3.14
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4H-thiochromeno[4,3-b]pyrrol-1-yl)propan-2-ol?
The IUPAC name of 1-(4H-thiochromeno[4,3-b]pyrrol-1-yl)propan-2-ol (CID 19036598) is 1-(4H-thiochromeno[4,3-b]pyrrol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4H-thiochromeno[4,3-b]pyrrol-1-yl)propan-2-ol?
The canonical SMILES for 1-(4H-thiochromeno[4,3-b]pyrrol-1-yl)propan-2-ol is CC(O)Cn1ccc2c1-c1ccccc1SC2.
What is the InChIKey of 1-(4H-thiochromeno[4,3-b]pyrrol-1-yl)propan-2-ol?
The InChIKey is NUCPYRXQJYJFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-10(16)8-15-7-6-11-9-17-13-5-3-2-4-12(13)14(11)15/h2-7,10,16H,8-9H2,1H3.
What are the key properties of 1-(4H-thiochromeno[4,3-b]pyrrol-1-yl)propan-2-ol?
1-(4H-thiochromeno[4,3-b]pyrrol-1-yl)propan-2-ol has a molecular weight of 245.35 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4H-thiochromeno[4,3-b]pyrrol-1-yl)propan-2-ol is sourced from PubChem (CID 19036598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).