(2-chloro-5-hydroxyphenyl)-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone

C15H19ClN2O2 — CID 106502652

IUPAC(2-chloro-5-hydroxyphenyl)-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
SMILESCCC1C2CNCC2CN1C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-2-14-12-7-17-6-9(12)8-18(14)15(20)11-5-10(19)3-4-13(11)16/h3-5,9,12,14,17,19H,2,6-8H2,1H3
InChIKeyKIZIOAFVQCZXQI-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.12
Rot. Bonds2

About (2-chloro-5-hydroxyphenyl)-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone

(2-chloro-5-hydroxyphenyl)-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone (PubChem CID 106502652) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (2-chloro-5-hydroxyphenyl)-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-hydroxyphenyl)-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
PubChem CID106502652
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(2-chloro-5-hydroxyphenyl)-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
SMILESCCC1C2CNCC2CN1C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-2-14-12-7-17-6-9(12)8-18(14)15(20)11-5-10(19)3-4-13(11)16/h3-5,9,12,14,17,19H,2,6-8H2,1H3
InChIKeyKIZIOAFVQCZXQI-UHFFFAOYSA-N
XLogP2.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-hydroxyphenyl)-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone?
The IUPAC name of (2-chloro-5-hydroxyphenyl)-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone (CID 106502652) is (2-chloro-5-hydroxyphenyl)-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone.
What is the SMILES notation for (2-chloro-5-hydroxyphenyl)-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone?
The canonical SMILES for (2-chloro-5-hydroxyphenyl)-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone is CCC1C2CNCC2CN1C(=O)c1cc(O)ccc1Cl.
What is the InChIKey of (2-chloro-5-hydroxyphenyl)-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone?
The InChIKey is KIZIOAFVQCZXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-2-14-12-7-17-6-9(12)8-18(14)15(20)11-5-10(19)3-4-13(11)16/h3-5,9,12,14,17,19H,2,6-8H2,1H3.
What are the key properties of (2-chloro-5-hydroxyphenyl)-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone?
(2-chloro-5-hydroxyphenyl)-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone has a molecular weight of 294.78 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-hydroxyphenyl)-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone is sourced from PubChem (CID 106502652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).