[(1S,2S)-4,4-dimethyl-2-[(1-oxo-3H-2-benzofuran-5-yl)oxy]cyclopentyl] carbamate

C16H19NO5 — CID 175135895

IUPAC[(1S,2S)-4,4-dimethyl-2-[(1-oxo-3H-2-benzofuran-5-yl)oxy]cyclopentyl] carbamate
SMILESCC1(C)C[C@H](OC(N)=O)[C@@H](Oc2ccc3c(c2)COC3=O)C1
InChIInChI=1S/C16H19NO5/c1-16(2)6-12(13(7-16)22-15(17)19)21-10-3-4-11-9(5-10)8-20-14(11)18/h3-5,12-13H,6-8H2,1-2H3,(H2,17,19)/t12-,13-/m0/s1
InChIKeyOYAOCRLDXRZSRA-STQMWFEESA-N
MW305.33 g/mol
LogP2.39
Rot. Bonds3

About [(1S,2S)-4,4-dimethyl-2-[(1-oxo-3H-2-benzofuran-5-yl)oxy]cyclopentyl] carbamate

[(1S,2S)-4,4-dimethyl-2-[(1-oxo-3H-2-benzofuran-5-yl)oxy]cyclopentyl] carbamate (PubChem CID 175135895) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is [(1S,2S)-4,4-dimethyl-2-[(1-oxo-3H-2-benzofuran-5-yl)oxy]cyclopentyl] carbamate.

Molecular Properties

Compound Name[(1S,2S)-4,4-dimethyl-2-[(1-oxo-3H-2-benzofuran-5-yl)oxy]cyclopentyl] carbamate
PubChem CID175135895
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name[(1S,2S)-4,4-dimethyl-2-[(1-oxo-3H-2-benzofuran-5-yl)oxy]cyclopentyl] carbamate
SMILESCC1(C)C[C@H](OC(N)=O)[C@@H](Oc2ccc3c(c2)COC3=O)C1
InChIInChI=1S/C16H19NO5/c1-16(2)6-12(13(7-16)22-15(17)19)21-10-3-4-11-9(5-10)8-20-14(11)18/h3-5,12-13H,6-8H2,1-2H3,(H2,17,19)/t12-,13-/m0/s1
InChIKeyOYAOCRLDXRZSRA-STQMWFEESA-N
XLogP2.39
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1S,2S)-4,4-dimethyl-2-[(1-oxo-3H-2-benzofuran-5-yl)oxy]cyclopentyl] carbamate with MolForge

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Related Compounds

5-[(1S,2R)-2-amino-3-methylcyclopentyl]oxy-3H-2-benzofuran-1-one
CID 169079955
5-[(2S)-2-methylcyclobutyl]oxy-3H-2-benzofuran-1-one
CID 162154699
5-(2-hydroxycyclopentyl)oxy-3H-2-benzofuran-1-one
CID 146296856
tert-butyl N-[(1S,2S)-2-[(1-oxo-3H-2-benzofuran-5-yl)oxy]cyclohexyl]carbamate
CID 150475226
[(1S,2R)-2-methyl-5-[(1-oxo-3H-2-benzofuran-5-yl)oxy]cyclopentyl] N-tert-butylcarbamate
CID 169079957
4-[(1-oxo-3H-2-benzofuran-5-yl)oxy]piperidine-1-carboxylic acid
CID 89445047
tert-butyl (1S,5S,6R)-5-[(1-oxo-3H-2-benzofuran-5-yl)oxy]-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 166591950
5-[[(1S,5S,6R)-3-ethyl-3-azabicyclo[4.1.0]heptan-5-yl]oxy]-3H-2-benzofuran-1-one
CID 166154243
5-[(3R)-1-ethyl-4,4-dimethylpiperidin-3-yl]oxy-3H-2-benzofuran-1-one
CID 166591924
5-[(1R)-1-(1-ethylpiperidin-2-yl)ethoxy]-3H-2-benzofuran-1-one
CID 156500867
5-[[(8R)-6-ethyl-6-azaspiro[2.5]octan-8-yl]oxy]-3H-2-benzofuran-1-one
CID 166154218
CID 163780212
CID 163780212

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-4,4-dimethyl-2-[(1-oxo-3H-2-benzofuran-5-yl)oxy]cyclopentyl] carbamate?
The IUPAC name of [(1S,2S)-4,4-dimethyl-2-[(1-oxo-3H-2-benzofuran-5-yl)oxy]cyclopentyl] carbamate (CID 175135895) is [(1S,2S)-4,4-dimethyl-2-[(1-oxo-3H-2-benzofuran-5-yl)oxy]cyclopentyl] carbamate.
What is the SMILES notation for [(1S,2S)-4,4-dimethyl-2-[(1-oxo-3H-2-benzofuran-5-yl)oxy]cyclopentyl] carbamate?
The canonical SMILES for [(1S,2S)-4,4-dimethyl-2-[(1-oxo-3H-2-benzofuran-5-yl)oxy]cyclopentyl] carbamate is CC1(C)C[C@H](OC(N)=O)[C@@H](Oc2ccc3c(c2)COC3=O)C1.
What is the InChIKey of [(1S,2S)-4,4-dimethyl-2-[(1-oxo-3H-2-benzofuran-5-yl)oxy]cyclopentyl] carbamate?
The InChIKey is OYAOCRLDXRZSRA-STQMWFEESA-N. The full InChI is InChI=1S/C16H19NO5/c1-16(2)6-12(13(7-16)22-15(17)19)21-10-3-4-11-9(5-10)8-20-14(11)18/h3-5,12-13H,6-8H2,1-2H3,(H2,17,19)/t12-,13-/m0/s1.
What are the key properties of [(1S,2S)-4,4-dimethyl-2-[(1-oxo-3H-2-benzofuran-5-yl)oxy]cyclopentyl] carbamate?
[(1S,2S)-4,4-dimethyl-2-[(1-oxo-3H-2-benzofuran-5-yl)oxy]cyclopentyl] carbamate has a molecular weight of 305.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-4,4-dimethyl-2-[(1-oxo-3H-2-benzofuran-5-yl)oxy]cyclopentyl] carbamate is sourced from PubChem (CID 175135895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).