2-methylideneindol-5-amine

C9H8N2 — CID 143497791

IUPAC2-methylideneindol-5-amine
SMILESC=C1C=c2cc(N)ccc2=N1
InChIInChI=1S/C9H8N2/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5H,1,10H2
InChIKeyXYYRFCKGIYIOLA-UHFFFAOYSA-N
MW144.18 g/mol
LogP0.20
Rot. Bonds

About 2-methylideneindol-5-amine

2-methylideneindol-5-amine (PubChem CID 143497791) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 2-methylideneindol-5-amine.

Molecular Properties

Compound Name2-methylideneindol-5-amine
PubChem CID143497791
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name2-methylideneindol-5-amine
SMILESC=C1C=c2cc(N)ccc2=N1
InChIInChI=1S/C9H8N2/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5H,1,10H2
InChIKeyXYYRFCKGIYIOLA-UHFFFAOYSA-N
XLogP0.20
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,3,6,8-tetramethyl-1H-pyrrolo[3,2-h]quinoline
CID 1504463
2,3-Dihydroacridin-9-amine
CID 444211
4H-Carbazole
CID 19360791
2H-carbazole
CID 19830578
Methyleneindole
CID 20077160
Cyclopentacarbazole
CID 21887528
2-Methylideneindol-1-ium
CID 59596733
2-methyl-1H-pyrido[2,3-a]carbazole
CID 136493873
5-Fluoro-2-methylideneindol-1-ium
CID 123585887
5-fluoro-2H-carbazole
CID 139329693
2,4,8,9-tetramethyl-7H-pyrrolo[2,3-h]quinoline
CID 135505015
3-Amino-1,4-dimethyl-5h-pyrido[3,4-b]indole
CID 101081692

Frequently Asked Questions

What is the IUPAC name of 2-methylideneindol-5-amine?
The IUPAC name of 2-methylideneindol-5-amine (CID 143497791) is 2-methylideneindol-5-amine.
What is the SMILES notation for 2-methylideneindol-5-amine?
The canonical SMILES for 2-methylideneindol-5-amine is C=C1C=c2cc(N)ccc2=N1.
What is the InChIKey of 2-methylideneindol-5-amine?
The InChIKey is XYYRFCKGIYIOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5H,1,10H2.
What are the key properties of 2-methylideneindol-5-amine?
2-methylideneindol-5-amine has a molecular weight of 144.18 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylideneindol-5-amine is sourced from PubChem (CID 143497791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).