(7-nitro-1H-indol-3-yl)methanamine

C9H9N3O2 — CID 76844656

IUPAC(7-nitro-1H-indol-3-yl)methanamine
SMILESNCc1c[nH]c2c([N+](=O)[O-])cccc12
InChIInChI=1S/C9H9N3O2/c10-4-6-5-11-9-7(6)2-1-3-8(9)12(13)14/h1-3,5,11H,4,10H2
InChIKeyVGFMXYJBUNKXKI-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.53
Rot. Bonds2

About (7-nitro-1H-indol-3-yl)methanamine

(7-nitro-1H-indol-3-yl)methanamine (PubChem CID 76844656) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is (7-nitro-1H-indol-3-yl)methanamine.

Molecular Properties

Compound Name(7-nitro-1H-indol-3-yl)methanamine
PubChem CID76844656
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name(7-nitro-1H-indol-3-yl)methanamine
SMILESNCc1c[nH]c2c([N+](=O)[O-])cccc12
InChIInChI=1S/C9H9N3O2/c10-4-6-5-11-9-7(6)2-1-3-8(9)12(13)14/h1-3,5,11H,4,10H2
InChIKeyVGFMXYJBUNKXKI-UHFFFAOYSA-N
XLogP1.53
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.53
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

7-nitro-1H-indole-3-carboxamide
CID 57287877
2-(3-nitro-1H-indol-7-yl)ethanamine
CID 83882305
(1S)-1-(7-nitro-1H-indol-3-yl)propan-1-amine
CID 104985014
(7-nitro-1-benzothiophen-3-yl)methanamine
CID 119082910
(7-nitro-1H-indol-3-yl) formate
CID 174450911
ethyl 8-nitro-4-oxo-1H-quinoline-3-carboxylate
CID 734639
methyl 7-nitro-1H-indole-3-carboxylate
CID 11413351
2-(3-nitro-1H-indol-7-yl)acetic acid
CID 83889215
1,5,9-trinitrotriphenylene
CID 86227277
2-(3-nitro-1H-indol-7-yl)acetaldehyde
CID 83881757
2-bromo-1-(7-nitro-1H-indol-3-yl)butan-1-one
CID 114935578
(2-iodophenyl)-(7-nitro-1H-indol-3-yl)methanone
CID 114935633

Frequently Asked Questions

What is the IUPAC name of (7-nitro-1H-indol-3-yl)methanamine?
The IUPAC name of (7-nitro-1H-indol-3-yl)methanamine (CID 76844656) is (7-nitro-1H-indol-3-yl)methanamine.
What is the SMILES notation for (7-nitro-1H-indol-3-yl)methanamine?
The canonical SMILES for (7-nitro-1H-indol-3-yl)methanamine is NCc1c[nH]c2c([N+](=O)[O-])cccc12.
What is the InChIKey of (7-nitro-1H-indol-3-yl)methanamine?
The InChIKey is VGFMXYJBUNKXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c10-4-6-5-11-9-7(6)2-1-3-8(9)12(13)14/h1-3,5,11H,4,10H2.
What are the key properties of (7-nitro-1H-indol-3-yl)methanamine?
(7-nitro-1H-indol-3-yl)methanamine has a molecular weight of 191.19 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-nitro-1H-indol-3-yl)methanamine is sourced from PubChem (CID 76844656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).