(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-1-amine

C11H13N3 — CID 55273004

IUPAC(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-1-amine
SMILESC=CC[C@H](N)c1c[nH]c2ncccc12
InChIInChI=1S/C11H13N3/c1-2-4-10(12)9-7-14-11-8(9)5-3-6-13-11/h2-3,5-7,10H,1,4,12H2,(H,13,14)/t10-/m0/s1
InChIKeyFYGLFOJUFJYYFZ-JTQLQIEISA-N
MW187.25 g/mol
LogP2.14
Rot. Bonds3

About (1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-1-amine

(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-1-amine (PubChem CID 55273004) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is (1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-1-amine.

Molecular Properties

Compound Name(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-1-amine
PubChem CID55273004
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-1-amine
SMILESC=CC[C@H](N)c1c[nH]c2ncccc12
InChIInChI=1S/C11H13N3/c1-2-4-10(12)9-7-14-11-8(9)5-3-6-13-11/h2-3,5-7,10H,1,4,12H2,(H,13,14)/t10-/m0/s1
InChIKeyFYGLFOJUFJYYFZ-JTQLQIEISA-N
XLogP2.14
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine
CID 131140420
(1S)-1-(1H-indol-3-yl)but-3-en-1-amine
CID 55270742
1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol
CID 55271278
(1R)-1-(2-fluoro-3-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171203354
N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine
CID 115704290
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2,4-triol
CID 171872464
3-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784528
ethyl 2,3-dihydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 171866265
(2S)-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]propan-1-ol
CID 103789032
3-[(4-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 170418991
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474918

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-1-amine?
The IUPAC name of (1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-1-amine (CID 55273004) is (1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-1-amine.
What is the SMILES notation for (1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-1-amine?
The canonical SMILES for (1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-1-amine is C=CC[C@H](N)c1c[nH]c2ncccc12.
What is the InChIKey of (1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-1-amine?
The InChIKey is FYGLFOJUFJYYFZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13N3/c1-2-4-10(12)9-7-14-11-8(9)5-3-6-13-11/h2-3,5-7,10H,1,4,12H2,(H,13,14)/t10-/m0/s1.
What are the key properties of (1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-1-amine?
(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-1-amine has a molecular weight of 187.25 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-1-amine is sourced from PubChem (CID 55273004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).