[1-(4-nitroanilino)cyclopentyl]methanol

C12H16N2O3 — CID 59683301

IUPAC[1-(4-nitroanilino)cyclopentyl]methanol
SMILESO=[N+]([O-])c1ccc(NC2(CO)CCCC2)cc1
InChIInChI=1S/C12H16N2O3/c15-9-12(7-1-2-8-12)13-10-3-5-11(6-4-10)14(16)17/h3-6,13,15H,1-2,7-9H2
InChIKeyMLWHLJGCEVBSHO-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.31
Rot. Bonds4

About [1-(4-nitroanilino)cyclopentyl]methanol

[1-(4-nitroanilino)cyclopentyl]methanol (PubChem CID 59683301) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is [1-(4-nitroanilino)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(4-nitroanilino)cyclopentyl]methanol
PubChem CID59683301
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name[1-(4-nitroanilino)cyclopentyl]methanol
SMILESO=[N+]([O-])c1ccc(NC2(CO)CCCC2)cc1
InChIInChI=1S/C12H16N2O3/c15-9-12(7-1-2-8-12)13-10-3-5-11(6-4-10)14(16)17/h3-6,13,15H,1-2,7-9H2
InChIKeyMLWHLJGCEVBSHO-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
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

[1-(4-nitroanilino)cyclohexyl]methanol
CID 62520982
2-[1-(4-nitroanilino)cyclobutyl]acetic acid
CID 79845223
[1-(3-amino-4-nitroanilino)cyclohexyl]methanol
CID 106749253
5-[[1-(hydroxymethyl)cyclobutyl]amino]-2-nitrobenzonitrile
CID 104844166
[1-[2-(4-nitrophenoxy)ethylamino]cyclopentyl]methanol
CID 62518469
[1-[3-nitro-5-(propylamino)anilino]cyclopentyl]methanol
CID 80802785
[1-[4-nitro-3-(trifluoromethyl)anilino]cyclopentyl]methanol
CID 11472201
[1-(4-methylanilino)cycloheptyl]methanol
CID 61044779
[1-(2,6-difluoro-4-nitroanilino)cyclobutyl]methanol
CID 103828751
1-[(4-nitroanilino)methyl]cyclopentane-1-carboxylic acid
CID 115433296
[1-(4-nitro-3-propoxyanilino)cyclopentyl]methanol
CID 63671999
[4-(3-nitroanilino)oxan-4-yl]methanol
CID 114170363

Frequently Asked Questions

What is the IUPAC name of [1-(4-nitroanilino)cyclopentyl]methanol?
The IUPAC name of [1-(4-nitroanilino)cyclopentyl]methanol (CID 59683301) is [1-(4-nitroanilino)cyclopentyl]methanol.
What is the SMILES notation for [1-(4-nitroanilino)cyclopentyl]methanol?
The canonical SMILES for [1-(4-nitroanilino)cyclopentyl]methanol is O=[N+]([O-])c1ccc(NC2(CO)CCCC2)cc1.
What is the InChIKey of [1-(4-nitroanilino)cyclopentyl]methanol?
The InChIKey is MLWHLJGCEVBSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-9-12(7-1-2-8-12)13-10-3-5-11(6-4-10)14(16)17/h3-6,13,15H,1-2,7-9H2.
What are the key properties of [1-(4-nitroanilino)cyclopentyl]methanol?
[1-(4-nitroanilino)cyclopentyl]methanol has a molecular weight of 236.27 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-nitroanilino)cyclopentyl]methanol is sourced from PubChem (CID 59683301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).