5-(3-chlorophenyl)-3,4-dihydro-2H-pyrrole

C10H10ClN — CID 15496703

IUPAC5-(3-chlorophenyl)-3,4-dihydro-2H-pyrrole
SMILESClc1cccc(C2=NCCC2)c1
InChIInChI=1S/C10H10ClN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7H,2,5-6H2
InChIKeyFHVNCODOPTYOJD-UHFFFAOYSA-N
MW179.65 g/mol
LogP2.92
Rot. Bonds1

About 5-(3-chlorophenyl)-3,4-dihydro-2H-pyrrole

5-(3-chlorophenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 15496703) has the molecular formula C10H10ClN and a molecular weight of 179.65 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3,4-dihydro-2H-pyrrole
PubChem CID15496703
Molecular FormulaC10H10ClN
Molecular Weight179.65 g/mol
Exact Mass179.05
IUPAC Name5-(3-chlorophenyl)-3,4-dihydro-2H-pyrrole
SMILESClc1cccc(C2=NCCC2)c1
InChIInChI=1S/C10H10ClN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7H,2,5-6H2
InChIKeyFHVNCODOPTYOJD-UHFFFAOYSA-N
XLogP2.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-3H-pyrrole
CID 157390265
2-(3-chlorophenyl)-4,5-dimethyl-3H-pyrrole
CID 158338449
(2S)-5-(3-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole
CID 139079674
4-(3-chlorophenyl)-5H-1,3-oxazol-2-one
CID 162720035
magnesium;1,3-dichlorobenzene;hydride
CID 173052292
4-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 90110675
5-(3-chlorophenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 13365909
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
2-chloro-1,3-bis(3-chlorophenyl)benzene
CID 54080795
2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]
CID 118069405
3-(3-chlorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole
CID 132942091
1,3-dichlorobenzene;sulfanol
CID 174381890

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(3-chlorophenyl)-3,4-dihydro-2H-pyrrole (CID 15496703) is 5-(3-chlorophenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(3-chlorophenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(3-chlorophenyl)-3,4-dihydro-2H-pyrrole is Clc1cccc(C2=NCCC2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is FHVNCODOPTYOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7H,2,5-6H2.
What are the key properties of 5-(3-chlorophenyl)-3,4-dihydro-2H-pyrrole?
5-(3-chlorophenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 179.65 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 15496703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).