(1-methyl-3-nitroindol-7-yl)methanamine

C10H11N3O2 — CID 83882353

IUPAC(1-methyl-3-nitroindol-7-yl)methanamine
SMILESCn1cc([N+](=O)[O-])c2cccc(CN)c21
InChIInChI=1S/C10H11N3O2/c1-12-6-9(13(14)15)8-4-2-3-7(5-11)10(8)12/h2-4,6H,5,11H2,1H3
InChIKeyRNVQDWULOCQNCR-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.55
Rot. Bonds2

About (1-methyl-3-nitroindol-7-yl)methanamine

(1-methyl-3-nitroindol-7-yl)methanamine (PubChem CID 83882353) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is (1-methyl-3-nitroindol-7-yl)methanamine.

Molecular Properties

Compound Name(1-methyl-3-nitroindol-7-yl)methanamine
PubChem CID83882353
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name(1-methyl-3-nitroindol-7-yl)methanamine
SMILESCn1cc([N+](=O)[O-])c2cccc(CN)c21
InChIInChI=1S/C10H11N3O2/c1-12-6-9(13(14)15)8-4-2-3-7(5-11)10(8)12/h2-4,6H,5,11H2,1H3
InChIKeyRNVQDWULOCQNCR-UHFFFAOYSA-N
XLogP1.55
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1-methyl-3-nitroindol-7-yl)acetaldehyde
CID 83887938
2-(1-methyl-3-nitroindol-4-yl)ethanamine
CID 83888685
N-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine
CID 117181659
(7-nitro-1-benzothiophen-3-yl)methanamine
CID 119082910
(7-nitro-1H-indol-3-yl)methanamine
CID 76844656
[3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine
CID 117181707
2-(7-ethyl-1-methylindol-3-yl)-3-methylbutan-1-amine
CID 82497776
methanol;(2-nitrophenyl)methanol
CID 70046885
2-(7-ethyl-1-methylindol-3-yl)acetamide
CID 82493072
(2-nitrophenyl)methanol
CID 11923
(2,3-dichloro-4-nitrophenyl)methanamine
CID 119010941
(4-methylsulfonyl-2-nitrophenyl)methanamine
CID 44518858

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-nitroindol-7-yl)methanamine?
The IUPAC name of (1-methyl-3-nitroindol-7-yl)methanamine (CID 83882353) is (1-methyl-3-nitroindol-7-yl)methanamine.
What is the SMILES notation for (1-methyl-3-nitroindol-7-yl)methanamine?
The canonical SMILES for (1-methyl-3-nitroindol-7-yl)methanamine is Cn1cc([N+](=O)[O-])c2cccc(CN)c21.
What is the InChIKey of (1-methyl-3-nitroindol-7-yl)methanamine?
The InChIKey is RNVQDWULOCQNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-12-6-9(13(14)15)8-4-2-3-7(5-11)10(8)12/h2-4,6H,5,11H2,1H3.
What are the key properties of (1-methyl-3-nitroindol-7-yl)methanamine?
(1-methyl-3-nitroindol-7-yl)methanamine has a molecular weight of 205.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-nitroindol-7-yl)methanamine is sourced from PubChem (CID 83882353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).