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

C7H9N3 — CID 130648574

IUPAC(3R)-3-amino-3-(1H-pyrrol-3-yl)propanenitrile
SMILESN#CC[C@@H](N)c1cc[nH]c1
InChIInChI=1S/C7H9N3/c8-3-1-7(9)6-2-4-10-5-6/h2,4-5,7,10H,1,9H2/t7-/m1/s1
InChIKeyVJRNDRRPLRNWDJ-SSDOTTSWSA-N
MW135.17 g/mol
LogP0.93
Rot. Bonds2

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

(3R)-3-amino-3-(1H-pyrrol-3-yl)propanenitrile (PubChem CID 130648574) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is (3R)-3-amino-3-(1H-pyrrol-3-yl)propanenitrile.

Molecular Properties

Compound Name(3R)-3-amino-3-(1H-pyrrol-3-yl)propanenitrile
PubChem CID130648574
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name(3R)-3-amino-3-(1H-pyrrol-3-yl)propanenitrile
SMILESN#CC[C@@H](N)c1cc[nH]c1
InChIInChI=1S/C7H9N3/c8-3-1-7(9)6-2-4-10-5-6/h2,4-5,7,10H,1,9H2/t7-/m1/s1
InChIKeyVJRNDRRPLRNWDJ-SSDOTTSWSA-N
XLogP0.93
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylsulfanyl-1-(1H-pyrrol-3-yl)ethanamine
CID 116830292
3-amino-3-(4-propan-2-ylphenyl)propanenitrile
CID 55271456
(3S)-3-amino-3-(5-amino-1H-pyrrol-3-yl)propanenitrile
CID 130971587
3,3-dimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
CID 116934629
(3R)-3-amino-3-(4-bromophenyl)propanenitrile;hydrochloride
CID 162344433
(3S)-3-amino-3-(4-iodophenyl)propanenitrile;hydrochloride
CID 171259922
2-(1H-pyrrol-3-yl)butanenitrile
CID 116834273
3-amino-3-thiophen-3-ylpropanenitrile
CID 55293748
(3R)-3-amino-3-(4-ethynylphenyl)propanenitrile
CID 130703519
(3S)-3-amino-3-(4-ethylphenyl)propanenitrile
CID 95435347
4-(methylamino)-4-(1H-pyrrol-3-yl)butanenitrile
CID 116955311
3-amino-3-(4-hydroxy-1H-pyrrol-3-yl)propanenitrile
CID 130002598

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(1H-pyrrol-3-yl)propanenitrile?
The IUPAC name of (3R)-3-amino-3-(1H-pyrrol-3-yl)propanenitrile (CID 130648574) is (3R)-3-amino-3-(1H-pyrrol-3-yl)propanenitrile.
What is the SMILES notation for (3R)-3-amino-3-(1H-pyrrol-3-yl)propanenitrile?
The canonical SMILES for (3R)-3-amino-3-(1H-pyrrol-3-yl)propanenitrile is N#CC[C@@H](N)c1cc[nH]c1.
What is the InChIKey of (3R)-3-amino-3-(1H-pyrrol-3-yl)propanenitrile?
The InChIKey is VJRNDRRPLRNWDJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H9N3/c8-3-1-7(9)6-2-4-10-5-6/h2,4-5,7,10H,1,9H2/t7-/m1/s1.
What are the key properties of (3R)-3-amino-3-(1H-pyrrol-3-yl)propanenitrile?
(3R)-3-amino-3-(1H-pyrrol-3-yl)propanenitrile has a molecular weight of 135.17 g/mol, XLogP of 0.93, 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-(1H-pyrrol-3-yl)propanenitrile is sourced from PubChem (CID 130648574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).