5-nitro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indol-4-amine

C13H17N3O3 — CID 133498252

IUPAC5-nitro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indol-4-amine
SMILESO=[N+]([O-])c1ccc2c(c1NCC1CCCO1)CCN2
InChIInChI=1S/C13H17N3O3/c17-16(18)12-4-3-11-10(5-6-14-11)13(12)15-8-9-2-1-7-19-9/h3-4,9,14-15H,1-2,5-8H2
InChIKeySVZOVBKVFUKUMZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.15
Rot. Bonds4

About 5-nitro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indol-4-amine

5-nitro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indol-4-amine (PubChem CID 133498252) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-nitro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indol-4-amine.

Molecular Properties

Compound Name5-nitro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indol-4-amine
PubChem CID133498252
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5-nitro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indol-4-amine
SMILESO=[N+]([O-])c1ccc2c(c1NCC1CCCO1)CCN2
InChIInChI=1S/C13H17N3O3/c17-16(18)12-4-3-11-10(5-6-14-11)13(12)15-8-9-2-1-7-19-9/h3-4,9,14-15H,1-2,5-8H2
InChIKeySVZOVBKVFUKUMZ-UHFFFAOYSA-N
XLogP2.15
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.15
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

2,3-difluoro-6-nitro-N-(oxolan-2-ylmethyl)aniline
CID 62533651
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 28557215
5-chloro-2-nitro-N-(oxolan-2-ylmethyl)aniline
CID 2915714
2-[(1S,2R)-2-[(5-nitro-2,3-dihydro-1H-indol-4-yl)amino]cyclopentyl]ethanol
CID 100663068
5-nitro-N-(2-pyridin-2-ylethyl)-2,3-dihydro-1H-indol-4-amine
CID 133498377
2-nitro-N-[[(2S)-oxolan-2-yl]methyl]-5-piperazin-1-ylaniline
CID 7111564
4-fluoro-3-nitro-N-(oxolan-2-ylmethyl)aniline
CID 113220624
2-methyl-3-nitro-N-(oxolan-2-ylmethyl)aniline
CID 60721681
2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine
CID 115585307
5-methoxy-2-nitro-N-(oxolan-2-ylmethyl)aniline
CID 78954558
2-(2-nitrophenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 2874725
6-methoxy-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 79882191

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indol-4-amine?
The IUPAC name of 5-nitro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indol-4-amine (CID 133498252) is 5-nitro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indol-4-amine.
What is the SMILES notation for 5-nitro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indol-4-amine?
The canonical SMILES for 5-nitro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indol-4-amine is O=[N+]([O-])c1ccc2c(c1NCC1CCCO1)CCN2.
What is the InChIKey of 5-nitro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indol-4-amine?
The InChIKey is SVZOVBKVFUKUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-16(18)12-4-3-11-10(5-6-14-11)13(12)15-8-9-2-1-7-19-9/h3-4,9,14-15H,1-2,5-8H2.
What are the key properties of 5-nitro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indol-4-amine?
5-nitro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indol-4-amine has a molecular weight of 263.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indol-4-amine is sourced from PubChem (CID 133498252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).