[2-(3-nitroanilino)cyclopentyl]methanol

C12H16N2O3 — CID 103703697

IUPAC[2-(3-nitroanilino)cyclopentyl]methanol
SMILESO=[N+]([O-])c1cccc(NC2CCCC2CO)c1
InChIInChI=1S/C12H16N2O3/c15-8-9-3-1-6-12(9)13-10-4-2-5-11(7-10)14(16)17/h2,4-5,7,9,12-13,15H,1,3,6,8H2
InChIKeyBLOYWUGFZQDYBQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.17
Rot. Bonds4

About [2-(3-nitroanilino)cyclopentyl]methanol

[2-(3-nitroanilino)cyclopentyl]methanol (PubChem CID 103703697) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is [2-(3-nitroanilino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-(3-nitroanilino)cyclopentyl]methanol
PubChem CID103703697
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name[2-(3-nitroanilino)cyclopentyl]methanol
SMILESO=[N+]([O-])c1cccc(NC2CCCC2CO)c1
InChIInChI=1S/C12H16N2O3/c15-8-9-3-1-6-12(9)13-10-4-2-5-11(7-10)14(16)17/h2,4-5,7,9,12-13,15H,1,3,6,8H2
InChIKeyBLOYWUGFZQDYBQ-UHFFFAOYSA-N
XLogP2.17
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.17
H-Bond Donors ≤ 52
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

[2-[3-(methylamino)-5-nitroanilino]cyclopentyl]methanol
CID 106368067
[2-(3-amino-5-nitroanilino)cyclohexyl]methanol
CID 106368183
[2-(2-bromo-4-nitroanilino)cyclohexyl]methanol
CID 106362304
2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-nitrobenzoic acid
CID 106361797
2-[[2-(hydroxymethyl)cyclohexyl]amino]-1-(3-nitrophenyl)ethanol
CID 86816929
(1S)-2-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]amino]-1-(3-nitrophenyl)ethanol
CID 129435834
4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-nitrobenzoic acid
CID 106361835
[2-[(6-amino-4-nitro-2-pyridinyl)amino]cyclohexyl]methanol
CID 106368323
4-[[2-(hydroxymethyl)cyclopentyl]amino]-3-nitrobenzamide
CID 103703671
3-(3-nitroanilino)cyclopentane-1-carboxylic acid
CID 66031984
N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide
CID 103751423
N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide
CID 103835995

Frequently Asked Questions

What is the IUPAC name of [2-(3-nitroanilino)cyclopentyl]methanol?
The IUPAC name of [2-(3-nitroanilino)cyclopentyl]methanol (CID 103703697) is [2-(3-nitroanilino)cyclopentyl]methanol.
What is the SMILES notation for [2-(3-nitroanilino)cyclopentyl]methanol?
The canonical SMILES for [2-(3-nitroanilino)cyclopentyl]methanol is O=[N+]([O-])c1cccc(NC2CCCC2CO)c1.
What is the InChIKey of [2-(3-nitroanilino)cyclopentyl]methanol?
The InChIKey is BLOYWUGFZQDYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-8-9-3-1-6-12(9)13-10-4-2-5-11(7-10)14(16)17/h2,4-5,7,9,12-13,15H,1,3,6,8H2.
What are the key properties of [2-(3-nitroanilino)cyclopentyl]methanol?
[2-(3-nitroanilino)cyclopentyl]methanol has a molecular weight of 236.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-nitroanilino)cyclopentyl]methanol is sourced from PubChem (CID 103703697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).