3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-amine

C10H13N3 — CID 169463682

IUPAC3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-amine
SMILESNCC=Cc1cnc2c(c1)CCN2
InChIInChI=1S/C10H13N3/c11-4-1-2-8-6-9-3-5-12-10(9)13-7-8/h1-2,6-7H,3-5,11H2,(H,12,13)
InChIKeyOHXLJEIQULCJEH-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.02
Rot. Bonds2

About 3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-amine

3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-amine (PubChem CID 169463682) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-amine
PubChem CID169463682
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-amine
SMILESNCC=Cc1cnc2c(c1)CCN2
InChIInChI=1S/C10H13N3/c11-4-1-2-8-6-9-3-5-12-10(9)13-7-8/h1-2,6-7H,3-5,11H2,(H,12,13)
InChIKeyOHXLJEIQULCJEH-UHFFFAOYSA-N
XLogP1.02
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

S-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-enyl] ethanethioate
CID 170480245
N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-enyl]acetamide
CID 170488804
3-(2,3-dihydro-1H-indol-5-yl)prop-2-en-1-amine
CID 169463690
2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ylmethanamine;dihydrochloride
CID 23000261
4-fluorophenol;methyl (E)-3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enoate
CID 144944933
5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 55255548
3-(5,6-dichloro-3-pyridinyl)prop-2-en-1-amine
CID 169463327
(E)-3-(5,6,7,8,9,10,11,12-octahydropyrido[2,3-b][1,5]diazecin-3-yl)prop-2-enoic acid
CID 142907179
(E)-3-(5-methyl-4-oxo-1,2,3,6-tetrahydropyrido[2,3-b][1,5]diazocin-8-yl)prop-2-enoic acid
CID 59332871
3-(3-oxo-1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enoic acid
CID 66966697
3-(6-chloro-5-methyl-3-pyridinyl)prop-2-en-1-amine
CID 169463285
3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 170814617

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-amine?
The IUPAC name of 3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-amine (CID 169463682) is 3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-amine is NCC=Cc1cnc2c(c1)CCN2.
What is the InChIKey of 3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-amine?
The InChIKey is OHXLJEIQULCJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c11-4-1-2-8-6-9-3-5-12-10(9)13-7-8/h1-2,6-7H,3-5,11H2,(H,12,13).
What are the key properties of 3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-amine?
3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-amine has a molecular weight of 175.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-amine is sourced from PubChem (CID 169463682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).