3-(3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-imine

C10H13N3 — CID 163490819

IUPAC3-(3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-imine
SMILES[H]/N=C/CCN1C=CC2N=CC=CC21
InChIInChI=1S/C10H13N3/c11-5-2-7-13-8-4-9-10(13)3-1-6-12-9/h1,3-6,8-11H,2,7H2/b11-5+
InChIKeyCMLSCXWVTYQTGL-VZUCSPMQSA-N
MW175.23 g/mol
LogP1.23
Rot. Bonds3

About 3-(3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-imine

3-(3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-imine (PubChem CID 163490819) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-(3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-imine.

Molecular Properties

Compound Name3-(3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-imine
PubChem CID163490819
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name3-(3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-imine
SMILES[H]/N=C/CCN1C=CC2N=CC=CC21
InChIInChI=1S/C10H13N3/c11-5-2-7-13-8-4-9-10(13)3-1-6-12-9/h1,3-6,8-11H,2,7H2/b11-5+
InChIKeyCMLSCXWVTYQTGL-VZUCSPMQSA-N
XLogP1.23
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 17859413
2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 23545925
1-Methyl-1,4,6,8a-tetrahydropyrrolo[1,2-a]pyrazine
CID 57323444
1-Methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 91406679
2-Ethyl-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 117611845
1,2-Dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 118491724
3-(3,4-Dihydropyridin-1-ium-1-yl)-2,3-dihydropyridine
CID 123513583
1,4-Dimethyl-7,7a-dihydropyrrolo[3,2-b]pyridin-1-ium;ethane
CID 144465460
1,2-Dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine;ethane
CID 144955040
3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane
CID 154693408
2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 155148574
1,5-Dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 165379437

Frequently Asked Questions

What is the IUPAC name of 3-(3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-imine?
The IUPAC name of 3-(3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-imine (CID 163490819) is 3-(3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-imine.
What is the SMILES notation for 3-(3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-imine?
The canonical SMILES for 3-(3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-imine is [H]/N=C/CCN1C=CC2N=CC=CC21.
What is the InChIKey of 3-(3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-imine?
The InChIKey is CMLSCXWVTYQTGL-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H13N3/c11-5-2-7-13-8-4-9-10(13)3-1-6-12-9/h1,3-6,8-11H,2,7H2/b11-5+.
What are the key properties of 3-(3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-imine?
3-(3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-imine has a molecular weight of 175.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-imine is sourced from PubChem (CID 163490819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).