3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanenitrile

C11H17N3 — CID 116910428

IUPAC3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanenitrile
SMILESCN(C)C(c1ccc[nH]1)C(C)(C)C#N
InChIInChI=1S/C11H17N3/c1-11(2,8-12)10(14(3)4)9-6-5-7-13-9/h5-7,10,13H,1-4H3
InChIKeyYRZKKIKQKUXHPH-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.17
Rot. Bonds3

About 3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanenitrile

3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanenitrile (PubChem CID 116910428) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanenitrile.

Molecular Properties

Compound Name3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanenitrile
PubChem CID116910428
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanenitrile
SMILESCN(C)C(c1ccc[nH]1)C(C)(C)C#N
InChIInChI=1S/C11H17N3/c1-11(2,8-12)10(14(3)4)9-6-5-7-13-9/h5-7,10,13H,1-4H3
InChIKeyYRZKKIKQKUXHPH-UHFFFAOYSA-N
XLogP2.17
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoic acid
CID 116907990
4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile
CID 116910082
3-(5-bromothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile
CID 116910407
3-(5-chlorothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile
CID 116910406
2-methylsulfanyl-2-(1H-pyrrol-2-yl)acetonitrile
CID 10397008
2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetaldehyde
CID 116908648
2,2-dimethyl-3-(1H-pyrrol-2-yl)propanenitrile
CID 116927654
3-(4-bromothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile
CID 116910433
2-(dimethylamino)-2-(1H-pyrrol-2-yl)ethanethioamide
CID 84758225
2-amino-N,N-dimethyl-2-(1H-pyrrol-2-yl)acetamide
CID 116850119
2-(ethylamino)-2-(1H-pyrrol-2-yl)acetonitrile
CID 84816713
3,3-dimethyl-1-(1H-pyrrol-2-yl)butan-1-ol
CID 63748383

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanenitrile?
The IUPAC name of 3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanenitrile (CID 116910428) is 3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanenitrile.
What is the SMILES notation for 3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanenitrile?
The canonical SMILES for 3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanenitrile is CN(C)C(c1ccc[nH]1)C(C)(C)C#N.
What is the InChIKey of 3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanenitrile?
The InChIKey is YRZKKIKQKUXHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-11(2,8-12)10(14(3)4)9-6-5-7-13-9/h5-7,10,13H,1-4H3.
What are the key properties of 3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanenitrile?
3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanenitrile has a molecular weight of 191.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanenitrile is sourced from PubChem (CID 116910428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).