methyl 2-(5-cyclopentyl-7-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate

C19H22FNO2 — CID 91335184

IUPACmethyl 2-(5-cyclopentyl-7-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate
SMILESCOC(=O)CC1CCn2c1cc1c(C3CCCC3)cc(F)cc12
InChIInChI=1S/C19H22FNO2/c1-23-19(22)8-13-6-7-21-17(13)11-16-15(12-4-2-3-5-12)9-14(20)10-18(16)21/h9-13H,2-8H2,1H3
InChIKeyRVQKJGYZLUSHBZ-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.49
Rot. Bonds3

About methyl 2-(5-cyclopentyl-7-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate

methyl 2-(5-cyclopentyl-7-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate (PubChem CID 91335184) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is methyl 2-(5-cyclopentyl-7-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-cyclopentyl-7-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate
PubChem CID91335184
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Namemethyl 2-(5-cyclopentyl-7-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate
SMILESCOC(=O)CC1CCn2c1cc1c(C3CCCC3)cc(F)cc12
InChIInChI=1S/C19H22FNO2/c1-23-19(22)8-13-6-7-21-17(13)11-16-15(12-4-2-3-5-12)9-14(20)10-18(16)21/h9-13H,2-8H2,1H3
InChIKeyRVQKJGYZLUSHBZ-UHFFFAOYSA-N
XLogP4.49
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(5-cyclopentyl-7-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate with MolForge

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Related Compounds

methyl 2-(4-bromo-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate
CID 86594294
2-[7-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid
CID 87890162
methyl 2-[5-bromo-7-fluoro-4-(naphthalene-2-carbonyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetate
CID 91170727
tert-butyl 2-[6-[(3-cyano-4-cyclohexylphenyl)methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetate
CID 67249284
methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 137332483
methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate
CID 115299469
methyl 2-[4-(1,3-benzothiazol-2-ylsulfanyl)-5-bromo-7-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetate
CID 90829205
methyl 2-(1-methyl-2-oxopyrrolidin-3-yl)acetate;hydrate
CID 174373555
methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate
CID 115031353
methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 17221672
methyl 2-(2-cyclopentylphenyl)acetate
CID 117047538
tert-butyl 2-(6-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate
CID 67250144

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-cyclopentyl-7-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate?
The IUPAC name of methyl 2-(5-cyclopentyl-7-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate (CID 91335184) is methyl 2-(5-cyclopentyl-7-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate.
What is the SMILES notation for methyl 2-(5-cyclopentyl-7-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate?
The canonical SMILES for methyl 2-(5-cyclopentyl-7-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate is COC(=O)CC1CCn2c1cc1c(C3CCCC3)cc(F)cc12.
What is the InChIKey of methyl 2-(5-cyclopentyl-7-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate?
The InChIKey is RVQKJGYZLUSHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-23-19(22)8-13-6-7-21-17(13)11-16-15(12-4-2-3-5-12)9-14(20)10-18(16)21/h9-13H,2-8H2,1H3.
What are the key properties of methyl 2-(5-cyclopentyl-7-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate?
methyl 2-(5-cyclopentyl-7-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate has a molecular weight of 315.39 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-cyclopentyl-7-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate is sourced from PubChem (CID 91335184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).