(3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propanenitrile

C7H8BrN3 — CID 130624691

IUPAC(3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propanenitrile
SMILESN#CC[C@@H](N)c1[nH]ccc1Br
InChIInChI=1S/C7H8BrN3/c8-5-2-4-11-7(5)6(10)1-3-9/h2,4,6,11H,1,10H2/t6-/m1/s1
InChIKeyMJEJSUIKQMYVOK-ZCFIWIBFSA-N
MW214.07 g/mol
LogP1.69
Rot. Bonds2

About (3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propanenitrile

(3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propanenitrile (PubChem CID 130624691) has the molecular formula C7H8BrN3 and a molecular weight of 214.07 g/mol. Its IUPAC name is (3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propanenitrile.

Molecular Properties

Compound Name(3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propanenitrile
PubChem CID130624691
Molecular FormulaC7H8BrN3
Molecular Weight214.07 g/mol
Exact Mass212.99
IUPAC Name(3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propanenitrile
SMILESN#CC[C@@H](N)c1[nH]ccc1Br
InChIInChI=1S/C7H8BrN3/c8-5-2-4-11-7(5)6(10)1-3-9/h2,4,6,11H,1,10H2/t6-/m1/s1
InChIKeyMJEJSUIKQMYVOK-ZCFIWIBFSA-N
XLogP1.69
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.07
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propanenitrile?
The IUPAC name of (3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propanenitrile (CID 130624691) is (3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propanenitrile.
What is the SMILES notation for (3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propanenitrile?
The canonical SMILES for (3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propanenitrile is N#CC[C@@H](N)c1[nH]ccc1Br.
What is the InChIKey of (3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propanenitrile?
The InChIKey is MJEJSUIKQMYVOK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H8BrN3/c8-5-2-4-11-7(5)6(10)1-3-9/h2,4,6,11H,1,10H2/t6-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propanenitrile?
(3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propanenitrile has a molecular weight of 214.07 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propanenitrile is sourced from PubChem (CID 130624691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).