ethane;4-[3-ethenyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]-N-formylpentanamide

C17H26N2O3 — CID 172587358

IUPACethane;4-[3-ethenyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]-N-formylpentanamide
SMILESC=CC1=C(/C=C\C)C(=O)N(C(C)CCC(=O)NC=O)C1.CC
InChIInChI=1S/C15H20N2O3.C2H6/c1-4-6-13-12(5-2)9-17(15(13)20)11(3)7-8-14(19)16-10-18;1-2/h4-6,10-11H,2,7-9H2,1,3H3,(H,16,18,19);1-2H3/b6-4-;
InChIKeyBNWXXZIYIXIMGF-YHSAGPEESA-N
MW306.41 g/mol
LogP2.35
Rot. Bonds7

About ethane;4-[3-ethenyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]-N-formylpentanamide

ethane;4-[3-ethenyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]-N-formylpentanamide (PubChem CID 172587358) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is ethane;4-[3-ethenyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]-N-formylpentanamide.

Molecular Properties

Compound Nameethane;4-[3-ethenyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]-N-formylpentanamide
PubChem CID172587358
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nameethane;4-[3-ethenyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]-N-formylpentanamide
SMILESC=CC1=C(/C=C\C)C(=O)N(C(C)CCC(=O)NC=O)C1.CC
InChIInChI=1S/C15H20N2O3.C2H6/c1-4-6-13-12(5-2)9-17(15(13)20)11(3)7-8-14(19)16-10-18;1-2/h4-6,10-11H,2,7-9H2,1,3H3,(H,16,18,19);1-2H3/b6-4-;
InChIKeyBNWXXZIYIXIMGF-YHSAGPEESA-N
XLogP2.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[3-ethenyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]-N-formylpentanamide?
The IUPAC name of ethane;4-[3-ethenyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]-N-formylpentanamide (CID 172587358) is ethane;4-[3-ethenyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]-N-formylpentanamide.
What is the SMILES notation for ethane;4-[3-ethenyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]-N-formylpentanamide?
The canonical SMILES for ethane;4-[3-ethenyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]-N-formylpentanamide is C=CC1=C(/C=C\C)C(=O)N(C(C)CCC(=O)NC=O)C1.CC.
What is the InChIKey of ethane;4-[3-ethenyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]-N-formylpentanamide?
The InChIKey is BNWXXZIYIXIMGF-YHSAGPEESA-N. The full InChI is InChI=1S/C15H20N2O3.C2H6/c1-4-6-13-12(5-2)9-17(15(13)20)11(3)7-8-14(19)16-10-18;1-2/h4-6,10-11H,2,7-9H2,1,3H3,(H,16,18,19);1-2H3/b6-4-;.
What are the key properties of ethane;4-[3-ethenyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]-N-formylpentanamide?
ethane;4-[3-ethenyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]-N-formylpentanamide has a molecular weight of 306.41 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[3-ethenyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]-N-formylpentanamide is sourced from PubChem (CID 172587358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).