3-buta-1,3-dien-2-yl-N-methyl-1,5-dihydropyrrolo[2,3-c]pyridin-6-amine

C12H15N3 — CID 142081957

IUPAC3-buta-1,3-dien-2-yl-N-methyl-1,5-dihydropyrrolo[2,3-c]pyridin-6-amine
SMILESC=CC(=C)c1c[nH]c2c1=CCN(NC)C=2
InChIInChI=1S/C12H15N3/c1-4-9(2)11-7-14-12-8-15(13-3)6-5-10(11)12/h4-5,7-8,13-14H,1-2,6H2,3H3
InChIKeyZYGLJUVAGGENJX-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.18
Rot. Bonds3

About 3-buta-1,3-dien-2-yl-N-methyl-1,5-dihydropyrrolo[2,3-c]pyridin-6-amine

3-buta-1,3-dien-2-yl-N-methyl-1,5-dihydropyrrolo[2,3-c]pyridin-6-amine (PubChem CID 142081957) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-buta-1,3-dien-2-yl-N-methyl-1,5-dihydropyrrolo[2,3-c]pyridin-6-amine.

Molecular Properties

Compound Name3-buta-1,3-dien-2-yl-N-methyl-1,5-dihydropyrrolo[2,3-c]pyridin-6-amine
PubChem CID142081957
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-buta-1,3-dien-2-yl-N-methyl-1,5-dihydropyrrolo[2,3-c]pyridin-6-amine
SMILESC=CC(=C)c1c[nH]c2c1=CCN(NC)C=2
InChIInChI=1S/C12H15N3/c1-4-9(2)11-7-14-12-8-15(13-3)6-5-10(11)12/h4-5,7-8,13-14H,1-2,6H2,3H3
InChIKeyZYGLJUVAGGENJX-UHFFFAOYSA-N
XLogP0.18
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-buta-1,3-dien-2-yl-N-methyl-1,5-dihydropyrrolo[2,3-c]pyridin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-Dihydrotryptamine
CID 67559680
1-ethyl-1-[2-[(3Z)-3-[(2E)-2-fluoropenta-2,4-dienylidene]-1,2-dihydropyrrol-4-yl]ethyl]-2-methylhydrazine
CID 167204679
7-Fluoro-2-methyl-1,7a-dihydroindazol-4-amine
CID 166076599
3,5-Dimethyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 58047454
2,3-Dihydrocyclopenta[e]indazole
CID 59145891
2-Methyl-3-(3-methylbut-1-en-2-yl)-1,2-dihydropyrazolo[1,5-a]pyridine
CID 59525160
1-Propan-2-yl-2,3,6,7-tetrahydroindazole
CID 60067164
17,20-Diazapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5,7,9,11,13,15,18-nonaene
CID 88691048
6-Ethyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 89033267
[3-(Cyclohexa-1,3-dien-1-ylmethyl)-1,2-dihydrotriazol-5-yl]methanamine
CID 89242288
7-methyl-5,6-dihydro-1H-indole
CID 89355292
(3Z)-2-methylidene-4-(4-methylpenta-1,3-dien-2-yl)-3-prop-2-enylidenepyrrol-1-amine
CID 89379521

Frequently Asked Questions

What is the IUPAC name of 3-buta-1,3-dien-2-yl-N-methyl-1,5-dihydropyrrolo[2,3-c]pyridin-6-amine?
The IUPAC name of 3-buta-1,3-dien-2-yl-N-methyl-1,5-dihydropyrrolo[2,3-c]pyridin-6-amine (CID 142081957) is 3-buta-1,3-dien-2-yl-N-methyl-1,5-dihydropyrrolo[2,3-c]pyridin-6-amine.
What is the SMILES notation for 3-buta-1,3-dien-2-yl-N-methyl-1,5-dihydropyrrolo[2,3-c]pyridin-6-amine?
The canonical SMILES for 3-buta-1,3-dien-2-yl-N-methyl-1,5-dihydropyrrolo[2,3-c]pyridin-6-amine is C=CC(=C)c1c[nH]c2c1=CCN(NC)C=2.
What is the InChIKey of 3-buta-1,3-dien-2-yl-N-methyl-1,5-dihydropyrrolo[2,3-c]pyridin-6-amine?
The InChIKey is ZYGLJUVAGGENJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-4-9(2)11-7-14-12-8-15(13-3)6-5-10(11)12/h4-5,7-8,13-14H,1-2,6H2,3H3.
What are the key properties of 3-buta-1,3-dien-2-yl-N-methyl-1,5-dihydropyrrolo[2,3-c]pyridin-6-amine?
3-buta-1,3-dien-2-yl-N-methyl-1,5-dihydropyrrolo[2,3-c]pyridin-6-amine has a molecular weight of 201.27 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-buta-1,3-dien-2-yl-N-methyl-1,5-dihydropyrrolo[2,3-c]pyridin-6-amine is sourced from PubChem (CID 142081957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).