[1-(4-nitro-3-propoxyanilino)cyclopentyl]methanol

C15H22N2O4 — CID 63671999

IUPAC[1-(4-nitro-3-propoxyanilino)cyclopentyl]methanol
SMILESCCCOc1cc(NC2(CO)CCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O4/c1-2-9-21-14-10-12(5-6-13(14)17(19)20)16-15(11-18)7-3-4-8-15/h5-6,10,16,18H,2-4,7-9,11H2,1H3
InChIKeyCWXPMUGLNNFZFP-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.10
Rot. Bonds7

About [1-(4-nitro-3-propoxyanilino)cyclopentyl]methanol

[1-(4-nitro-3-propoxyanilino)cyclopentyl]methanol (PubChem CID 63671999) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is [1-(4-nitro-3-propoxyanilino)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(4-nitro-3-propoxyanilino)cyclopentyl]methanol
PubChem CID63671999
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name[1-(4-nitro-3-propoxyanilino)cyclopentyl]methanol
SMILESCCCOc1cc(NC2(CO)CCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O4/c1-2-9-21-14-10-12(5-6-13(14)17(19)20)16-15(11-18)7-3-4-8-15/h5-6,10,16,18H,2-4,7-9,11H2,1H3
InChIKeyCWXPMUGLNNFZFP-UHFFFAOYSA-N
XLogP3.10
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.10
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

N-(1-methylcyclopropyl)-4-nitro-3-propoxyaniline
CID 113485591
2-[1-(3-methoxy-4-nitroanilino)cyclopentyl]acetic acid
CID 64700769
[1-(3-amino-4-nitroanilino)cyclohexyl]methanol
CID 106749253
5-[[1-(hydroxymethyl)cyclobutyl]amino]-2-nitrobenzonitrile
CID 104844166
4-nitro-3-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)aniline
CID 79360119
[1-[4-nitro-3-(trifluoromethyl)anilino]cyclopentyl]methanol
CID 11472201
N-(1-cyclopropylethyl)-4-nitro-3-propoxyaniline
CID 63670592
(2S)-3-methyl-2-(4-nitro-3-propoxyanilino)butan-1-ol
CID 79246995
3-methyl-3-(4-nitro-3-propoxyanilino)pentan-1-ol
CID 106171225
2-cyclopropyl-2-(4-nitro-3-propoxyanilino)acetic acid
CID 63672080
4-nitro-N-pentyl-3-propoxyaniline
CID 63669901
2-methyl-1-(4-nitro-3-propoxyanilino)butan-2-ol
CID 65109365

Frequently Asked Questions

What is the IUPAC name of [1-(4-nitro-3-propoxyanilino)cyclopentyl]methanol?
The IUPAC name of [1-(4-nitro-3-propoxyanilino)cyclopentyl]methanol (CID 63671999) is [1-(4-nitro-3-propoxyanilino)cyclopentyl]methanol.
What is the SMILES notation for [1-(4-nitro-3-propoxyanilino)cyclopentyl]methanol?
The canonical SMILES for [1-(4-nitro-3-propoxyanilino)cyclopentyl]methanol is CCCOc1cc(NC2(CO)CCCC2)ccc1[N+](=O)[O-].
What is the InChIKey of [1-(4-nitro-3-propoxyanilino)cyclopentyl]methanol?
The InChIKey is CWXPMUGLNNFZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-2-9-21-14-10-12(5-6-13(14)17(19)20)16-15(11-18)7-3-4-8-15/h5-6,10,16,18H,2-4,7-9,11H2,1H3.
What are the key properties of [1-(4-nitro-3-propoxyanilino)cyclopentyl]methanol?
[1-(4-nitro-3-propoxyanilino)cyclopentyl]methanol has a molecular weight of 294.35 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-nitro-3-propoxyanilino)cyclopentyl]methanol is sourced from PubChem (CID 63671999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).