1-(3-nitrophenyl)pyrrolidin-3-ol

C10H12N2O3 — CID 62917312

IUPAC1-(3-nitrophenyl)pyrrolidin-3-ol
SMILESO=[N+]([O-])c1cccc(N2CCC(O)C2)c1
InChIInChI=1S/C10H12N2O3/c13-10-4-5-11(7-10)8-2-1-3-9(6-8)12(14)15/h1-3,6,10,13H,4-5,7H2
InChIKeyIIFFUPVNOSGXAT-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.17
Rot. Bonds2

About 1-(3-nitrophenyl)pyrrolidin-3-ol

1-(3-nitrophenyl)pyrrolidin-3-ol (PubChem CID 62917312) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-(3-nitrophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-nitrophenyl)pyrrolidin-3-ol
PubChem CID62917312
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name1-(3-nitrophenyl)pyrrolidin-3-ol
SMILESO=[N+]([O-])c1cccc(N2CCC(O)C2)c1
InChIInChI=1S/C10H12N2O3/c13-10-4-5-11(7-10)8-2-1-3-9(6-8)12(14)15/h1-3,6,10,13H,4-5,7H2
InChIKeyIIFFUPVNOSGXAT-UHFFFAOYSA-N
XLogP1.17
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.17
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

1-(3-nitrophenyl)piperidin-3-ol
CID 60981138
4-methyl-1-(3-nitrophenyl)piperidin-3-ol
CID 113347866
N,N-dimethyl-1-(3-nitrophenyl)piperidin-4-amine
CID 59597620
(3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol
CID 69320000
1-(3-nitrophenyl)azetidine
CID 58663764
1-(3-nitrophenyl)pyrrolidine
CID 698267
1-(3-methyl-4-nitrophenyl)pyrrolidin-3-ol
CID 22320998
1-(3-hydroxyphenyl)pyrrolidin-3-ol
CID 90894280
(3R)-1-(2-methyl-4-nitrophenyl)pyrrolidin-3-ol
CID 58851852
1-[1-(3-nitrophenyl)piperidin-4-yl]ethanamine
CID 55215914
(3S)-1-(3-nitro-5-propoxyphenyl)pyrrolidin-3-ol
CID 104892885
3,5-dimethyl-1-(3-nitrophenyl)piperazine
CID 55091283

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)pyrrolidin-3-ol?
The IUPAC name of 1-(3-nitrophenyl)pyrrolidin-3-ol (CID 62917312) is 1-(3-nitrophenyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(3-nitrophenyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(3-nitrophenyl)pyrrolidin-3-ol is O=[N+]([O-])c1cccc(N2CCC(O)C2)c1.
What is the InChIKey of 1-(3-nitrophenyl)pyrrolidin-3-ol?
The InChIKey is IIFFUPVNOSGXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-10-4-5-11(7-10)8-2-1-3-9(6-8)12(14)15/h1-3,6,10,13H,4-5,7H2.
What are the key properties of 1-(3-nitrophenyl)pyrrolidin-3-ol?
1-(3-nitrophenyl)pyrrolidin-3-ol has a molecular weight of 208.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 62917312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).