[1-(4-nitrophenyl)pyrrolidin-3-yl]methanol

C11H14N2O3 — CID 62370454

IUPAC[1-(4-nitrophenyl)pyrrolidin-3-yl]methanol
SMILESO=[N+]([O-])c1ccc(N2CCC(CO)C2)cc1
InChIInChI=1S/C11H14N2O3/c14-8-9-5-6-12(7-9)10-1-3-11(4-2-10)13(15)16/h1-4,9,14H,5-8H2
InChIKeyZWSNSQSHGMAKSR-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.41
Rot. Bonds3

About [1-(4-nitrophenyl)pyrrolidin-3-yl]methanol

[1-(4-nitrophenyl)pyrrolidin-3-yl]methanol (PubChem CID 62370454) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is [1-(4-nitrophenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-nitrophenyl)pyrrolidin-3-yl]methanol
PubChem CID62370454
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name[1-(4-nitrophenyl)pyrrolidin-3-yl]methanol
SMILESO=[N+]([O-])c1ccc(N2CCC(CO)C2)cc1
InChIInChI=1S/C11H14N2O3/c14-8-9-5-6-12(7-9)10-1-3-11(4-2-10)13(15)16/h1-4,9,14H,5-8H2
InChIKeyZWSNSQSHGMAKSR-UHFFFAOYSA-N
XLogP1.41
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;[1-(4-nitrophenyl)piperidin-3-yl]methanol
CID 144806851
[(3R)-1-(4-nitrophenyl)pyrrolidin-3-yl]methylcarbamic acid
CID 67148678
[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 62371884
1-(4-nitrophenyl)pyrrolidine-3-carboxylic acid
CID 63032721
[1-[3-(methylamino)-5-nitrophenyl]pyrrolidin-3-yl]methanol
CID 112629547
1-(4-nitrophenyl)piperidin-4-amine
CID 12050747
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
3-ethyl-1-(4-nitrophenyl)piperidin-4-amine
CID 81459759
[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol
CID 129367724
N-[[1-(4-nitrophenyl)piperidin-3-yl]methyl]acetamide
CID 133274968
1-(4-nitrophenyl)-4-propylazepane
CID 163444919
N-methyl-4-nitro-N-[[1-(4-nitrophenyl)piperidin-4-yl]methyl]aniline
CID 144902442

Frequently Asked Questions

What is the IUPAC name of [1-(4-nitrophenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(4-nitrophenyl)pyrrolidin-3-yl]methanol (CID 62370454) is [1-(4-nitrophenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(4-nitrophenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(4-nitrophenyl)pyrrolidin-3-yl]methanol is O=[N+]([O-])c1ccc(N2CCC(CO)C2)cc1.
What is the InChIKey of [1-(4-nitrophenyl)pyrrolidin-3-yl]methanol?
The InChIKey is ZWSNSQSHGMAKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-8-9-5-6-12(7-9)10-1-3-11(4-2-10)13(15)16/h1-4,9,14H,5-8H2.
What are the key properties of [1-(4-nitrophenyl)pyrrolidin-3-yl]methanol?
[1-(4-nitrophenyl)pyrrolidin-3-yl]methanol has a molecular weight of 222.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-nitrophenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 62370454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).