N-butan-2-yl-2-(2-cyanopyrrol-1-yl)acetamide

C11H15N3O — CID 114652623

IUPACN-butan-2-yl-2-(2-cyanopyrrol-1-yl)acetamide
SMILESCCC(C)NC(=O)Cn1cccc1C#N
InChIInChI=1S/C11H15N3O/c1-3-9(2)13-11(15)8-14-6-4-5-10(14)7-12/h4-6,9H,3,8H2,1-2H3,(H,13,15)
InChIKeyQFCYJRBSXWHCMA-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.27
Rot. Bonds4

About N-butan-2-yl-2-(2-cyanopyrrol-1-yl)acetamide

N-butan-2-yl-2-(2-cyanopyrrol-1-yl)acetamide (PubChem CID 114652623) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-cyanopyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2-cyanopyrrol-1-yl)acetamide
PubChem CID114652623
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-butan-2-yl-2-(2-cyanopyrrol-1-yl)acetamide
SMILESCCC(C)NC(=O)Cn1cccc1C#N
InChIInChI=1S/C11H15N3O/c1-3-9(2)13-11(15)8-14-6-4-5-10(14)7-12/h4-6,9H,3,8H2,1-2H3,(H,13,15)
InChIKeyQFCYJRBSXWHCMA-UHFFFAOYSA-N
XLogP1.27
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-tert-butyl-2-(2-cyanopyrrol-1-yl)acetamide
CID 114652595
N-butan-2-yl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79101776
N-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide
CID 114650857
2-(4-cyanoindol-1-yl)-N-pentan-2-ylacetamide
CID 107919108
2-[2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 79322277
N-pentan-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66401184
N-butan-2-yl-3-(3-cyanoanilino)propanamide
CID 109013061
N-[(2R)-butan-2-yl]-2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetamide
CID 95100262
N-[(2R)-butan-2-yl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide
CID 8964705
N-[(2R)-butan-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7467794
2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 79102365

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-cyanopyrrol-1-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(2-cyanopyrrol-1-yl)acetamide (CID 114652623) is N-butan-2-yl-2-(2-cyanopyrrol-1-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2-cyanopyrrol-1-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2-cyanopyrrol-1-yl)acetamide is CCC(C)NC(=O)Cn1cccc1C#N.
What is the InChIKey of N-butan-2-yl-2-(2-cyanopyrrol-1-yl)acetamide?
The InChIKey is QFCYJRBSXWHCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-9(2)13-11(15)8-14-6-4-5-10(14)7-12/h4-6,9H,3,8H2,1-2H3,(H,13,15).
What are the key properties of N-butan-2-yl-2-(2-cyanopyrrol-1-yl)acetamide?
N-butan-2-yl-2-(2-cyanopyrrol-1-yl)acetamide has a molecular weight of 205.26 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2-cyanopyrrol-1-yl)acetamide is sourced from PubChem (CID 114652623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).