5-[(1R)-1-aminoethyl]-1H-pyrrole-2-carbonitrile

C7H9N3 — CID 96735832

IUPAC5-[(1R)-1-aminoethyl]-1H-pyrrole-2-carbonitrile
SMILESC[C@@H](N)c1ccc(C#N)[nH]1
InChIInChI=1S/C7H9N3/c1-5(9)7-3-2-6(4-8)10-7/h2-3,5,10H,9H2,1H3/t5-/m1/s1
InChIKeyNHQDVWFCAJBCEA-RXMQYKEDSA-N
MW135.17 g/mol
LogP0.91
Rot. Bonds1

About 5-[(1R)-1-aminoethyl]-1H-pyrrole-2-carbonitrile

5-[(1R)-1-aminoethyl]-1H-pyrrole-2-carbonitrile (PubChem CID 96735832) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 5-[(1R)-1-aminoethyl]-1H-pyrrole-2-carbonitrile.

Molecular Properties

Compound Name5-[(1R)-1-aminoethyl]-1H-pyrrole-2-carbonitrile
PubChem CID96735832
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name5-[(1R)-1-aminoethyl]-1H-pyrrole-2-carbonitrile
SMILESC[C@@H](N)c1ccc(C#N)[nH]1
InChIInChI=1S/C7H9N3/c1-5(9)7-3-2-6(4-8)10-7/h2-3,5,10H,9H2,1H3/t5-/m1/s1
InChIKeyNHQDVWFCAJBCEA-RXMQYKEDSA-N
XLogP0.91
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-aminoethyl]-1H-pyrrole-2-carbonitrile?
The IUPAC name of 5-[(1R)-1-aminoethyl]-1H-pyrrole-2-carbonitrile (CID 96735832) is 5-[(1R)-1-aminoethyl]-1H-pyrrole-2-carbonitrile.
What is the SMILES notation for 5-[(1R)-1-aminoethyl]-1H-pyrrole-2-carbonitrile?
The canonical SMILES for 5-[(1R)-1-aminoethyl]-1H-pyrrole-2-carbonitrile is C[C@@H](N)c1ccc(C#N)[nH]1.
What is the InChIKey of 5-[(1R)-1-aminoethyl]-1H-pyrrole-2-carbonitrile?
The InChIKey is NHQDVWFCAJBCEA-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H9N3/c1-5(9)7-3-2-6(4-8)10-7/h2-3,5,10H,9H2,1H3/t5-/m1/s1.
What are the key properties of 5-[(1R)-1-aminoethyl]-1H-pyrrole-2-carbonitrile?
5-[(1R)-1-aminoethyl]-1H-pyrrole-2-carbonitrile has a molecular weight of 135.17 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-aminoethyl]-1H-pyrrole-2-carbonitrile is sourced from PubChem (CID 96735832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).