4-(2-methyl-3-nitrophenoxy)pyrrolidin-3-ol

C11H14N2O4 — CID 55232188

IUPAC4-(2-methyl-3-nitrophenoxy)pyrrolidin-3-ol
SMILESCc1c(OC2CNCC2O)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O4/c1-7-8(13(15)16)3-2-4-10(7)17-11-6-12-5-9(11)14/h2-4,9,11-12,14H,5-6H2,1H3
InChIKeyQFVGYXOOGCSSPG-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.61
Rot. Bonds3

About 4-(2-methyl-3-nitrophenoxy)pyrrolidin-3-ol

4-(2-methyl-3-nitrophenoxy)pyrrolidin-3-ol (PubChem CID 55232188) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-(2-methyl-3-nitrophenoxy)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(2-methyl-3-nitrophenoxy)pyrrolidin-3-ol
PubChem CID55232188
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name4-(2-methyl-3-nitrophenoxy)pyrrolidin-3-ol
SMILESCc1c(OC2CNCC2O)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O4/c1-7-8(13(15)16)3-2-4-10(7)17-11-6-12-5-9(11)14/h2-4,9,11-12,14H,5-6H2,1H3
InChIKeyQFVGYXOOGCSSPG-UHFFFAOYSA-N
XLogP0.61
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-(2-methyl-3-nitrophenoxy)-1,1-dioxothiolan-3-ol
CID 60880094
4-(3-methyl-4-nitrophenoxy)pyrrolidin-3-ol
CID 63703701
1-(3-chloro-2-propoxycyclobutyl)oxy-2-methyl-3-nitrobenzene
CID 107942907
3-(2-methyl-3-nitrophenoxy)cyclopentan-1-one
CID 79643216
2-ethoxy-N-ethyl-3-(2-methyl-3-nitrophenoxy)cyclobutan-1-amine
CID 104676361
3-[2-(2-methyl-3-nitrophenoxy)ethyl]pyrrolidine
CID 114796519
3-(2-methyl-3-nitrophenoxy)cyclohexan-1-one
CID 79618040
4-[2-(2-methyl-3-nitrophenoxy)ethyl]piperidine
CID 105061214
3-bromo-1-(2-methyl-3-nitrophenoxy)spiro[3.5]nonane
CID 66345775
1-amino-3-(2-methyl-3-nitrophenoxy)cyclopentane-1-carboxylic acid
CID 79648802
2-methyl-1-nitro-3-(trifluoromethoxy)benzene
CID 134621077
1-(bromomethoxy)-2-methyl-3-nitrobenzene
CID 67096067

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3-nitrophenoxy)pyrrolidin-3-ol?
The IUPAC name of 4-(2-methyl-3-nitrophenoxy)pyrrolidin-3-ol (CID 55232188) is 4-(2-methyl-3-nitrophenoxy)pyrrolidin-3-ol.
What is the SMILES notation for 4-(2-methyl-3-nitrophenoxy)pyrrolidin-3-ol?
The canonical SMILES for 4-(2-methyl-3-nitrophenoxy)pyrrolidin-3-ol is Cc1c(OC2CNCC2O)cccc1[N+](=O)[O-].
What is the InChIKey of 4-(2-methyl-3-nitrophenoxy)pyrrolidin-3-ol?
The InChIKey is QFVGYXOOGCSSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7-8(13(15)16)3-2-4-10(7)17-11-6-12-5-9(11)14/h2-4,9,11-12,14H,5-6H2,1H3.
What are the key properties of 4-(2-methyl-3-nitrophenoxy)pyrrolidin-3-ol?
4-(2-methyl-3-nitrophenoxy)pyrrolidin-3-ol has a molecular weight of 238.24 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3-nitrophenoxy)pyrrolidin-3-ol is sourced from PubChem (CID 55232188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).