cyclopropyl-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrol-3-yl]methanol

C15H15FN2O3 — CID 107350375

IUPACcyclopropyl-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrol-3-yl]methanol
SMILESO=[N+]([O-])c1cccc(Cn2ccc(C(O)C3CC3)c2)c1F
InChIInChI=1S/C15H15FN2O3/c16-14-11(2-1-3-13(14)18(20)21)8-17-7-6-12(9-17)15(19)10-4-5-10/h1-3,6-7,9-10,15,19H,4-5,8H2
InChIKeyOXHHNJZRQFVZDL-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.03
Rot. Bonds5

About cyclopropyl-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrol-3-yl]methanol

cyclopropyl-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrol-3-yl]methanol (PubChem CID 107350375) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is cyclopropyl-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Namecyclopropyl-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrol-3-yl]methanol
PubChem CID107350375
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Namecyclopropyl-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrol-3-yl]methanol
SMILESO=[N+]([O-])c1cccc(Cn2ccc(C(O)C3CC3)c2)c1F
InChIInChI=1S/C15H15FN2O3/c16-14-11(2-1-3-13(14)18(20)21)8-17-7-6-12(9-17)15(19)10-4-5-10/h1-3,6-7,9-10,15,19H,4-5,8H2
InChIKeyOXHHNJZRQFVZDL-UHFFFAOYSA-N
XLogP3.03
TPSA68.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cyclopropyl-[1-[(2-methyl-3-nitrophenyl)methyl]pyrrol-3-yl]methanol
CID 79098208
[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol
CID 79103370
2-methyl-1-[1-[(2-nitrophenyl)methyl]pyrrol-3-yl]propan-1-ol
CID 79097591
(3S,4R)-1-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidine-3,4-diol
CID 107350606
2-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-yl]ethanol
CID 107348429
2-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetic acid
CID 107350116
1-cyclopentyl-3-(2-fluoro-3-nitrophenyl)propan-1-ol
CID 107350527
8-[(2-fluoro-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 107350249
1-(3-chloro-3-cyclopropylpropyl)-2-fluoro-3-nitrobenzene
CID 107350564
1-[(2-fluoro-3-nitrophenyl)methyl]-4-methylpyrrolidin-2-one
CID 107348522
1-cyclopropyl-3-(2-fluoro-3-nitrophenyl)-N-methylpropan-1-amine
CID 107350060
cyclopropyl-(1-propylpyrrol-3-yl)methanol
CID 79097754

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrol-3-yl]methanol?
The IUPAC name of cyclopropyl-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrol-3-yl]methanol (CID 107350375) is cyclopropyl-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrol-3-yl]methanol.
What is the SMILES notation for cyclopropyl-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrol-3-yl]methanol?
The canonical SMILES for cyclopropyl-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrol-3-yl]methanol is O=[N+]([O-])c1cccc(Cn2ccc(C(O)C3CC3)c2)c1F.
What is the InChIKey of cyclopropyl-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrol-3-yl]methanol?
The InChIKey is OXHHNJZRQFVZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c16-14-11(2-1-3-13(14)18(20)21)8-17-7-6-12(9-17)15(19)10-4-5-10/h1-3,6-7,9-10,15,19H,4-5,8H2.
What are the key properties of cyclopropyl-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrol-3-yl]methanol?
cyclopropyl-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrol-3-yl]methanol has a molecular weight of 290.29 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrol-3-yl]methanol is sourced from PubChem (CID 107350375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).