3-(2-methylidene-5-oxopyrrol-1-yl)-N-propan-2-ylpropanamide

C11H16N2O2 — CID 118082160

IUPAC3-(2-methylidene-5-oxopyrrol-1-yl)-N-propan-2-ylpropanamide
SMILESC=C1C=CC(=O)N1CCC(=O)NC(C)C
InChIInChI=1S/C11H16N2O2/c1-8(2)12-10(14)6-7-13-9(3)4-5-11(13)15/h4-5,8H,3,6-7H2,1-2H3,(H,12,14)
InChIKeyHOFMPTBYRRNCFW-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.81
Rot. Bonds4

About 3-(2-methylidene-5-oxopyrrol-1-yl)-N-propan-2-ylpropanamide

3-(2-methylidene-5-oxopyrrol-1-yl)-N-propan-2-ylpropanamide (PubChem CID 118082160) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(2-methylidene-5-oxopyrrol-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-methylidene-5-oxopyrrol-1-yl)-N-propan-2-ylpropanamide
PubChem CID118082160
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(2-methylidene-5-oxopyrrol-1-yl)-N-propan-2-ylpropanamide
SMILESC=C1C=CC(=O)N1CCC(=O)NC(C)C
InChIInChI=1S/C11H16N2O2/c1-8(2)12-10(14)6-7-13-9(3)4-5-11(13)15/h4-5,8H,3,6-7H2,1-2H3,(H,12,14)
InChIKeyHOFMPTBYRRNCFW-UHFFFAOYSA-N
XLogP0.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylidene-5-oxopyrrol-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2-methylidene-5-oxopyrrol-1-yl)-N-propan-2-ylpropanamide (CID 118082160) is 3-(2-methylidene-5-oxopyrrol-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2-methylidene-5-oxopyrrol-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2-methylidene-5-oxopyrrol-1-yl)-N-propan-2-ylpropanamide is C=C1C=CC(=O)N1CCC(=O)NC(C)C.
What is the InChIKey of 3-(2-methylidene-5-oxopyrrol-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is HOFMPTBYRRNCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(2)12-10(14)6-7-13-9(3)4-5-11(13)15/h4-5,8H,3,6-7H2,1-2H3,(H,12,14).
What are the key properties of 3-(2-methylidene-5-oxopyrrol-1-yl)-N-propan-2-ylpropanamide?
3-(2-methylidene-5-oxopyrrol-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 208.26 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylidene-5-oxopyrrol-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 118082160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).