(1S)-1-(6-nitro-1H-indol-3-yl)ethanamine

C10H11N3O2 — CID 82758109

IUPAC(1S)-1-(6-nitro-1H-indol-3-yl)ethanamine
SMILESC[C@H](N)c1c[nH]c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C10H11N3O2/c1-6(11)9-5-12-10-4-7(13(14)15)2-3-8(9)10/h2-6,12H,11H2,1H3/t6-/m0/s1
InChIKeyAZKAPUUEJGJNDA-LURJTMIESA-N
MW205.22 g/mol
LogP2.10
Rot. Bonds2

About (1S)-1-(6-nitro-1H-indol-3-yl)ethanamine

(1S)-1-(6-nitro-1H-indol-3-yl)ethanamine (PubChem CID 82758109) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is (1S)-1-(6-nitro-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(6-nitro-1H-indol-3-yl)ethanamine
PubChem CID82758109
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name(1S)-1-(6-nitro-1H-indol-3-yl)ethanamine
SMILESC[C@H](N)c1c[nH]c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C10H11N3O2/c1-6(11)9-5-12-10-4-7(13(14)15)2-3-8(9)10/h2-6,12H,11H2,1H3/t6-/m0/s1
InChIKeyAZKAPUUEJGJNDA-LURJTMIESA-N
XLogP2.10
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

6-nitro-3-[(E)-4-phenylbut-3-en-2-yl]-1H-indole
CID 122373985
(1R)-1-(6-chloro-1H-indol-3-yl)ethanamine
CID 82759126
3-bromo-6-nitro-1H-indole
CID 14707934
2-methyl-1-(6-nitro-1H-indol-3-yl)butan-1-one
CID 43308954
3-methyl-7-nitro-1H-quinolin-4-one
CID 10560102
(6-nitro-1H-indol-3-yl)-piperidin-4-ylmethanol
CID 43308985
(1S)-1-(2,4-dinitrophenyl)ethanamine
CID 54102317
3,4,4-trimethyl-1-(6-nitro-1H-indol-3-yl)pentan-1-one
CID 63834645
methyl 2-(6-nitro-1H-indol-3-yl)-2-oxoacetate
CID 75412293
3-(methylsulfanylmethyl)-6-nitro-1H-indole
CID 23245098
methyl (6-nitro-1H-indol-3-yl) carbonate
CID 57207350
2-[(1S)-1-aminoethyl]-4-nitrophenol;hydrochloride
CID 171217252

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-nitro-1H-indol-3-yl)ethanamine?
The IUPAC name of (1S)-1-(6-nitro-1H-indol-3-yl)ethanamine (CID 82758109) is (1S)-1-(6-nitro-1H-indol-3-yl)ethanamine.
What is the SMILES notation for (1S)-1-(6-nitro-1H-indol-3-yl)ethanamine?
The canonical SMILES for (1S)-1-(6-nitro-1H-indol-3-yl)ethanamine is C[C@H](N)c1c[nH]c2cc([N+](=O)[O-])ccc12.
What is the InChIKey of (1S)-1-(6-nitro-1H-indol-3-yl)ethanamine?
The InChIKey is AZKAPUUEJGJNDA-LURJTMIESA-N. The full InChI is InChI=1S/C10H11N3O2/c1-6(11)9-5-12-10-4-7(13(14)15)2-3-8(9)10/h2-6,12H,11H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-(6-nitro-1H-indol-3-yl)ethanamine?
(1S)-1-(6-nitro-1H-indol-3-yl)ethanamine has a molecular weight of 205.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-nitro-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 82758109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).