5-[1-(4-chlorophenyl)propan-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C15H21ClN2 — CID 114081357

IUPAC5-[1-(4-chlorophenyl)propan-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC(Cc1ccc(Cl)cc1)N1CC2CNCC2C1
InChIInChI=1S/C15H21ClN2/c1-11(6-12-2-4-15(16)5-3-12)18-9-13-7-17-8-14(13)10-18/h2-5,11,13-14,17H,6-10H2,1H3
InChIKeyGVMAEEATGBLNNT-UHFFFAOYSA-N
MW264.80 g/mol
LogP2.42
Rot. Bonds3

About 5-[1-(4-chlorophenyl)propan-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-[1-(4-chlorophenyl)propan-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 114081357) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)propan-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)propan-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID114081357
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name5-[1-(4-chlorophenyl)propan-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC(Cc1ccc(Cl)cc1)N1CC2CNCC2C1
InChIInChI=1S/C15H21ClN2/c1-11(6-12-2-4-15(16)5-3-12)18-9-13-7-17-8-14(13)10-18/h2-5,11,13-14,17H,6-10H2,1H3
InChIKeyGVMAEEATGBLNNT-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)propan-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-[1-(4-chlorophenyl)propan-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 114081357) is 5-[1-(4-chlorophenyl)propan-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-[1-(4-chlorophenyl)propan-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-[1-(4-chlorophenyl)propan-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC(Cc1ccc(Cl)cc1)N1CC2CNCC2C1.
What is the InChIKey of 5-[1-(4-chlorophenyl)propan-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is GVMAEEATGBLNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-11(6-12-2-4-15(16)5-3-12)18-9-13-7-17-8-14(13)10-18/h2-5,11,13-14,17H,6-10H2,1H3.
What are the key properties of 5-[1-(4-chlorophenyl)propan-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-[1-(4-chlorophenyl)propan-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 264.80 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)propan-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 114081357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).