[1-(3-amino-2-nitroanilino)cyclopentyl]methanol

C12H17N3O3 — CID 80833202

IUPAC[1-(3-amino-2-nitroanilino)cyclopentyl]methanol
SMILESNc1cccc(NC2(CO)CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O3/c13-9-4-3-5-10(11(9)15(17)18)14-12(8-16)6-1-2-7-12/h3-5,14,16H,1-2,6-8,13H2
InChIKeyQMUDBXJJEFVMAJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.89
Rot. Bonds4

About [1-(3-amino-2-nitroanilino)cyclopentyl]methanol

[1-(3-amino-2-nitroanilino)cyclopentyl]methanol (PubChem CID 80833202) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is [1-(3-amino-2-nitroanilino)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(3-amino-2-nitroanilino)cyclopentyl]methanol
PubChem CID80833202
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name[1-(3-amino-2-nitroanilino)cyclopentyl]methanol
SMILESNc1cccc(NC2(CO)CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O3/c13-9-4-3-5-10(11(9)15(17)18)14-12(8-16)6-1-2-7-12/h3-5,14,16H,1-2,6-8,13H2
InChIKeyQMUDBXJJEFVMAJ-UHFFFAOYSA-N
XLogP1.89
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

[1-[3-(methylamino)-2-nitroanilino]cyclopentyl]methanol
CID 80832784
[4-[3-(methylamino)-2-nitroanilino]oxan-4-yl]methanol
CID 106301126
[1-[(5-nitroquinolin-6-yl)amino]cyclopentyl]methanol
CID 62519209
[1-(4-nitroanilino)cyclopentyl]methanol
CID 59683301
[1-(4-bromo-2-nitroanilino)cyclopentyl]methanol
CID 62518867
4-[(3-amino-2-nitroanilino)methyl]oxan-4-ol
CID 81131567
2-[3-(2-hydroxyethylamino)-2-nitroanilino]ethanol;2-nitrobenzene-1,3-diamine
CID 21278587
[1-(4-nitroanilino)cyclohexyl]methanol
CID 62520982
[1-[(5-nitroquinolin-6-yl)amino]cyclopropyl]methanol
CID 115868727
[1-(5-bromo-2-nitroanilino)cyclohexyl]methanol
CID 65343189
[1-[(8-aminoquinolin-4-yl)amino]cyclopentyl]methanol
CID 83060230
[4-(2-aminoanilino)oxan-4-yl]methanol
CID 106296850

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-2-nitroanilino)cyclopentyl]methanol?
The IUPAC name of [1-(3-amino-2-nitroanilino)cyclopentyl]methanol (CID 80833202) is [1-(3-amino-2-nitroanilino)cyclopentyl]methanol.
What is the SMILES notation for [1-(3-amino-2-nitroanilino)cyclopentyl]methanol?
The canonical SMILES for [1-(3-amino-2-nitroanilino)cyclopentyl]methanol is Nc1cccc(NC2(CO)CCCC2)c1[N+](=O)[O-].
What is the InChIKey of [1-(3-amino-2-nitroanilino)cyclopentyl]methanol?
The InChIKey is QMUDBXJJEFVMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-9-4-3-5-10(11(9)15(17)18)14-12(8-16)6-1-2-7-12/h3-5,14,16H,1-2,6-8,13H2.
What are the key properties of [1-(3-amino-2-nitroanilino)cyclopentyl]methanol?
[1-(3-amino-2-nitroanilino)cyclopentyl]methanol has a molecular weight of 251.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-2-nitroanilino)cyclopentyl]methanol is sourced from PubChem (CID 80833202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).