2-[(1S,2R)-2-[(5-nitro-2,3-dihydro-1H-indol-4-yl)amino]cyclopentyl]ethanol

C15H21N3O3 — CID 100663068

IUPAC2-[(1S,2R)-2-[(5-nitro-2,3-dihydro-1H-indol-4-yl)amino]cyclopentyl]ethanol
SMILESO=[N+]([O-])c1ccc2c(c1N[C@@H]1CCC[C@H]1CCO)CCN2
InChIInChI=1S/C15H21N3O3/c19-9-7-10-2-1-3-12(10)17-15-11-6-8-16-13(11)4-5-14(15)18(20)21/h4-5,10,12,16-17,19H,1-3,6-9H2/t10-,12+/m0/s1
InChIKeyVHLMVXVEGARZHD-CMPLNLGQSA-N
MW291.35 g/mol
LogP2.53
Rot. Bonds5

About 2-[(1S,2R)-2-[(5-nitro-2,3-dihydro-1H-indol-4-yl)amino]cyclopentyl]ethanol

2-[(1S,2R)-2-[(5-nitro-2,3-dihydro-1H-indol-4-yl)amino]cyclopentyl]ethanol (PubChem CID 100663068) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(1S,2R)-2-[(5-nitro-2,3-dihydro-1H-indol-4-yl)amino]cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[(1S,2R)-2-[(5-nitro-2,3-dihydro-1H-indol-4-yl)amino]cyclopentyl]ethanol
PubChem CID100663068
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[(1S,2R)-2-[(5-nitro-2,3-dihydro-1H-indol-4-yl)amino]cyclopentyl]ethanol
SMILESO=[N+]([O-])c1ccc2c(c1N[C@@H]1CCC[C@H]1CCO)CCN2
InChIInChI=1S/C15H21N3O3/c19-9-7-10-2-1-3-12(10)17-15-11-6-8-16-13(11)4-5-14(15)18(20)21/h4-5,10,12,16-17,19H,1-3,6-9H2/t10-,12+/m0/s1
InChIKeyVHLMVXVEGARZHD-CMPLNLGQSA-N
XLogP2.53
TPSA87.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.53
H-Bond Donors ≤ 53
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

2-[2-[(3-nitro-2-pyridinyl)amino]cyclopentyl]ethanol
CID 133496220
5-nitro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indol-4-amine
CID 133498252
2-[2-(4-methyl-2-nitroanilino)cyclopentyl]ethanol
CID 133496300
2-[2-(4-methylsulfonyl-2-nitroanilino)cyclopentyl]ethanol
CID 133496144
5-nitro-N-(2-pyridin-2-ylethyl)-2,3-dihydro-1H-indol-4-amine
CID 133498377
4-[[2-(hydroxymethyl)cyclopentyl]amino]-3-nitrobenzamide
CID 103703671
2-[2-(3-ethoxy-2-nitroanilino)cyclopentyl]ethanol
CID 133496156
2-[2-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]cyclopentyl]ethanol
CID 133496347
[2-(4-methyl-2-nitroanilino)cyclohexyl]methanol
CID 103846647
3-[[2-(2-hydroxyethyl)cyclopentyl]amino]-5-nitrobenzenesulfonamide
CID 133496467
N-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-5-nitrothiophene-2-carboxamide
CID 99787920
[2-(4,5-dimethoxy-2-nitroanilino)cyclopentyl]methanol
CID 106361972

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-[(5-nitro-2,3-dihydro-1H-indol-4-yl)amino]cyclopentyl]ethanol?
The IUPAC name of 2-[(1S,2R)-2-[(5-nitro-2,3-dihydro-1H-indol-4-yl)amino]cyclopentyl]ethanol (CID 100663068) is 2-[(1S,2R)-2-[(5-nitro-2,3-dihydro-1H-indol-4-yl)amino]cyclopentyl]ethanol.
What is the SMILES notation for 2-[(1S,2R)-2-[(5-nitro-2,3-dihydro-1H-indol-4-yl)amino]cyclopentyl]ethanol?
The canonical SMILES for 2-[(1S,2R)-2-[(5-nitro-2,3-dihydro-1H-indol-4-yl)amino]cyclopentyl]ethanol is O=[N+]([O-])c1ccc2c(c1N[C@@H]1CCC[C@H]1CCO)CCN2.
What is the InChIKey of 2-[(1S,2R)-2-[(5-nitro-2,3-dihydro-1H-indol-4-yl)amino]cyclopentyl]ethanol?
The InChIKey is VHLMVXVEGARZHD-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-9-7-10-2-1-3-12(10)17-15-11-6-8-16-13(11)4-5-14(15)18(20)21/h4-5,10,12,16-17,19H,1-3,6-9H2/t10-,12+/m0/s1.
What are the key properties of 2-[(1S,2R)-2-[(5-nitro-2,3-dihydro-1H-indol-4-yl)amino]cyclopentyl]ethanol?
2-[(1S,2R)-2-[(5-nitro-2,3-dihydro-1H-indol-4-yl)amino]cyclopentyl]ethanol has a molecular weight of 291.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-[(5-nitro-2,3-dihydro-1H-indol-4-yl)amino]cyclopentyl]ethanol is sourced from PubChem (CID 100663068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).