N-tert-butyl-2-(2-cyanopyrrol-1-yl)acetamide

C11H15N3O — CID 114652595

IUPACN-tert-butyl-2-(2-cyanopyrrol-1-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1cccc1C#N
InChIInChI=1S/C11H15N3O/c1-11(2,3)13-10(15)8-14-6-4-5-9(14)7-12/h4-6H,8H2,1-3H3,(H,13,15)
InChIKeyIXZFQMTYPMPURZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.27
Rot. Bonds2

About N-tert-butyl-2-(2-cyanopyrrol-1-yl)acetamide

N-tert-butyl-2-(2-cyanopyrrol-1-yl)acetamide (PubChem CID 114652595) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-tert-butyl-2-(2-cyanopyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-cyanopyrrol-1-yl)acetamide
PubChem CID114652595
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-tert-butyl-2-(2-cyanopyrrol-1-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1cccc1C#N
InChIInChI=1S/C11H15N3O/c1-11(2,3)13-10(15)8-14-6-4-5-9(14)7-12/h4-6H,8H2,1-3H3,(H,13,15)
InChIKeyIXZFQMTYPMPURZ-UHFFFAOYSA-N
XLogP1.27
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyanopyrrol-1-yl)-N-(2-methylpropyl)acetamide
CID 114652625
N-butan-2-yl-2-(2-cyanopyrrol-1-yl)acetamide
CID 114652623
N-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66401169
N-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide
CID 114650857
N-tert-butyl-2-indol-1-ylacetamide
CID 47348922
N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)acetamide
CID 114650291
2-(2-cyanopyrrol-1-yl)-N-cyclopropyl-N-methylacetamide
CID 114653142
1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrrole-2-carbonitrile
CID 114651413
5-(2-cyanopyrrol-1-yl)pentanehydrazide
CID 114655501
trans-(1R,2R)-N-tert-butyl-2-(2-cyanopyrrol-1-yl)cyclopropane-1-carboxamide
CID 57412777
N-tert-butyl-2-(4-methylindol-1-yl)acetamide
CID 116620352
1-[(2R)-2-hydroxypropyl]pyrrole-2-carbonitrile
CID 106932986

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-cyanopyrrol-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(2-cyanopyrrol-1-yl)acetamide (CID 114652595) is N-tert-butyl-2-(2-cyanopyrrol-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(2-cyanopyrrol-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(2-cyanopyrrol-1-yl)acetamide is CC(C)(C)NC(=O)Cn1cccc1C#N.
What is the InChIKey of N-tert-butyl-2-(2-cyanopyrrol-1-yl)acetamide?
The InChIKey is IXZFQMTYPMPURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-11(2,3)13-10(15)8-14-6-4-5-9(14)7-12/h4-6H,8H2,1-3H3,(H,13,15).
What are the key properties of N-tert-butyl-2-(2-cyanopyrrol-1-yl)acetamide?
N-tert-butyl-2-(2-cyanopyrrol-1-yl)acetamide has a molecular weight of 205.26 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-cyanopyrrol-1-yl)acetamide is sourced from PubChem (CID 114652595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).