1-[1-(2,3-dichloroprop-2-enyl)pyrrol-3-yl]propan-1-ol

C10H13Cl2NO — CID 79173585

IUPAC1-[1-(2,3-dichloroprop-2-enyl)pyrrol-3-yl]propan-1-ol
SMILESCCC(O)c1ccn(CC(Cl)=CCl)c1
InChIInChI=1S/C10H13Cl2NO/c1-2-10(14)8-3-4-13(6-8)7-9(12)5-11/h3-6,10,14H,2,7H2,1H3
InChIKeyFOWFANIDGLOENK-UHFFFAOYSA-N
MW234.13 g/mol
LogP3.25
Rot. Bonds4

About 1-[1-(2,3-dichloroprop-2-enyl)pyrrol-3-yl]propan-1-ol

1-[1-(2,3-dichloroprop-2-enyl)pyrrol-3-yl]propan-1-ol (PubChem CID 79173585) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 1-[1-(2,3-dichloroprop-2-enyl)pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(2,3-dichloroprop-2-enyl)pyrrol-3-yl]propan-1-ol
PubChem CID79173585
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name1-[1-(2,3-dichloroprop-2-enyl)pyrrol-3-yl]propan-1-ol
SMILESCCC(O)c1ccn(CC(Cl)=CCl)c1
InChIInChI=1S/C10H13Cl2NO/c1-2-10(14)8-3-4-13(6-8)7-9(12)5-11/h3-6,10,14H,2,7H2,1H3
InChIKeyFOWFANIDGLOENK-UHFFFAOYSA-N
XLogP3.25
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dichloroprop-2-enyl)pyrrol-3-yl]propan-1-ol?
The IUPAC name of 1-[1-(2,3-dichloroprop-2-enyl)pyrrol-3-yl]propan-1-ol (CID 79173585) is 1-[1-(2,3-dichloroprop-2-enyl)pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(2,3-dichloroprop-2-enyl)pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 1-[1-(2,3-dichloroprop-2-enyl)pyrrol-3-yl]propan-1-ol is CCC(O)c1ccn(CC(Cl)=CCl)c1.
What is the InChIKey of 1-[1-(2,3-dichloroprop-2-enyl)pyrrol-3-yl]propan-1-ol?
The InChIKey is FOWFANIDGLOENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-2-10(14)8-3-4-13(6-8)7-9(12)5-11/h3-6,10,14H,2,7H2,1H3.
What are the key properties of 1-[1-(2,3-dichloroprop-2-enyl)pyrrol-3-yl]propan-1-ol?
1-[1-(2,3-dichloroprop-2-enyl)pyrrol-3-yl]propan-1-ol has a molecular weight of 234.13 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dichloroprop-2-enyl)pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 79173585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).