3-[(2E)-2-ethylidene-5-methylidenepyrrol-1-yl]propanamide

C10H14N2O — CID 138566823

IUPAC3-[(2E)-2-ethylidene-5-methylidenepyrrol-1-yl]propanamide
SMILESC=c1cc/c(=C\C)n1CCC(N)=O
InChIInChI=1S/C10H14N2O/c1-3-9-5-4-8(2)12(9)7-6-10(11)13/h3-5H,2,6-7H2,1H3,(H2,11,13)/b9-3+
InChIKeyIMUDPQYHFOLIEA-YCRREMRBSA-N
MW178.23 g/mol
LogP-0.43
Rot. Bonds3

About 3-[(2E)-2-ethylidene-5-methylidenepyrrol-1-yl]propanamide

3-[(2E)-2-ethylidene-5-methylidenepyrrol-1-yl]propanamide (PubChem CID 138566823) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-[(2E)-2-ethylidene-5-methylidenepyrrol-1-yl]propanamide.

Molecular Properties

Compound Name3-[(2E)-2-ethylidene-5-methylidenepyrrol-1-yl]propanamide
PubChem CID138566823
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3-[(2E)-2-ethylidene-5-methylidenepyrrol-1-yl]propanamide
SMILESC=c1cc/c(=C\C)n1CCC(N)=O
InChIInChI=1S/C10H14N2O/c1-3-9-5-4-8(2)12(9)7-6-10(11)13/h3-5H,2,6-7H2,1H3,(H2,11,13)/b9-3+
InChIKeyIMUDPQYHFOLIEA-YCRREMRBSA-N
XLogP-0.43
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-ethylidene-5-methylidenepyrrol-1-yl]propanamide?
The IUPAC name of 3-[(2E)-2-ethylidene-5-methylidenepyrrol-1-yl]propanamide (CID 138566823) is 3-[(2E)-2-ethylidene-5-methylidenepyrrol-1-yl]propanamide.
What is the SMILES notation for 3-[(2E)-2-ethylidene-5-methylidenepyrrol-1-yl]propanamide?
The canonical SMILES for 3-[(2E)-2-ethylidene-5-methylidenepyrrol-1-yl]propanamide is C=c1cc/c(=C\C)n1CCC(N)=O.
What is the InChIKey of 3-[(2E)-2-ethylidene-5-methylidenepyrrol-1-yl]propanamide?
The InChIKey is IMUDPQYHFOLIEA-YCRREMRBSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-9-5-4-8(2)12(9)7-6-10(11)13/h3-5H,2,6-7H2,1H3,(H2,11,13)/b9-3+.
What are the key properties of 3-[(2E)-2-ethylidene-5-methylidenepyrrol-1-yl]propanamide?
3-[(2E)-2-ethylidene-5-methylidenepyrrol-1-yl]propanamide has a molecular weight of 178.23 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-ethylidene-5-methylidenepyrrol-1-yl]propanamide is sourced from PubChem (CID 138566823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).