ethylcarbamic acid;7-[(2-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole

C22H27FN2O3 — CID 67202334

IUPACethylcarbamic acid;7-[(2-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
SMILESCC1c2ccc(OCc3ccccc3F)cc2C2CNCC12.CCNC(=O)O
InChIInChI=1S/C19H20FNO.C3H7NO2/c1-12-15-7-6-14(8-16(15)18-10-21-9-17(12)18)22-11-13-4-2-3-5-19(13)20;1-2-4-3(5)6/h2-8,12,17-18,21H,9-11H2,1H3;4H,2H2,1H3,(H,5,6)
InChIKeyIBVBMIDVXGLPBY-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.10
Rot. Bonds4

About ethylcarbamic acid;7-[(2-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole

ethylcarbamic acid;7-[(2-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole (PubChem CID 67202334) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is ethylcarbamic acid;7-[(2-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole.

Molecular Properties

Compound Nameethylcarbamic acid;7-[(2-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
PubChem CID67202334
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Nameethylcarbamic acid;7-[(2-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
SMILESCC1c2ccc(OCc3ccccc3F)cc2C2CNCC12.CCNC(=O)O
InChIInChI=1S/C19H20FNO.C3H7NO2/c1-12-15-7-6-14(8-16(15)18-10-21-9-17(12)18)22-11-13-4-2-3-5-19(13)20;1-2-4-3(5)6/h2-8,12,17-18,21H,9-11H2,1H3;4H,2H2,1H3,(H,5,6)
InChIKeyIBVBMIDVXGLPBY-UHFFFAOYSA-N
XLogP4.10
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethylcarbamic acid;7-[(2-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole?
The IUPAC name of ethylcarbamic acid;7-[(2-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole (CID 67202334) is ethylcarbamic acid;7-[(2-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole.
What is the SMILES notation for ethylcarbamic acid;7-[(2-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole?
The canonical SMILES for ethylcarbamic acid;7-[(2-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole is CC1c2ccc(OCc3ccccc3F)cc2C2CNCC12.CCNC(=O)O.
What is the InChIKey of ethylcarbamic acid;7-[(2-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole?
The InChIKey is IBVBMIDVXGLPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO.C3H7NO2/c1-12-15-7-6-14(8-16(15)18-10-21-9-17(12)18)22-11-13-4-2-3-5-19(13)20;1-2-4-3(5)6/h2-8,12,17-18,21H,9-11H2,1H3;4H,2H2,1H3,(H,5,6).
What are the key properties of ethylcarbamic acid;7-[(2-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole?
ethylcarbamic acid;7-[(2-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole has a molecular weight of 386.47 g/mol, XLogP of 4.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcarbamic acid;7-[(2-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole is sourced from PubChem (CID 67202334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).