(2Z)-2-ethenyl-3-formyl-N-methyl-N-(1H-pyrrol-2-yl)penta-2,4-dienamide

C13H14N2O2 — CID 143087649

IUPAC(2Z)-2-ethenyl-3-formyl-N-methyl-N-(1H-pyrrol-2-yl)penta-2,4-dienamide
SMILESC=C/C(C=O)=C(\C=C)C(=O)N(C)c1ccc[nH]1
InChIInChI=1S/C13H14N2O2/c1-4-10(9-16)11(5-2)13(17)15(3)12-7-6-8-14-12/h4-9,14H,1-2H2,3H3/b11-10-
InChIKeyDDUANHBHDOCNIX-KHPPLWFESA-N
MW230.27 g/mol
LogP1.85
Rot. Bonds5

About (2Z)-2-ethenyl-3-formyl-N-methyl-N-(1H-pyrrol-2-yl)penta-2,4-dienamide

(2Z)-2-ethenyl-3-formyl-N-methyl-N-(1H-pyrrol-2-yl)penta-2,4-dienamide (PubChem CID 143087649) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (2Z)-2-ethenyl-3-formyl-N-methyl-N-(1H-pyrrol-2-yl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-2-ethenyl-3-formyl-N-methyl-N-(1H-pyrrol-2-yl)penta-2,4-dienamide
PubChem CID143087649
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(2Z)-2-ethenyl-3-formyl-N-methyl-N-(1H-pyrrol-2-yl)penta-2,4-dienamide
SMILESC=C/C(C=O)=C(\C=C)C(=O)N(C)c1ccc[nH]1
InChIInChI=1S/C13H14N2O2/c1-4-10(9-16)11(5-2)13(17)15(3)12-7-6-8-14-12/h4-9,14H,1-2H2,3H3/b11-10-
InChIKeyDDUANHBHDOCNIX-KHPPLWFESA-N
XLogP1.85
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N-(chloromethyl)-2-ethenyl-3-formyl-N-methylpenta-2,4-dienamide
CID 153331395
3-[methyl(1H-pyrrol-2-yl)amino]-3-oxopropanoic acid
CID 115163315
N-methyl-4-oxo-N-(1H-pyrrol-2-yl)pentanamide
CID 115176799
2-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-yl)butanamide
CID 115186463
4-amino-N,2,2-trimethyl-N-(1H-pyrrol-2-yl)butanamide
CID 115156967
2-methyl-2-[methyl(1H-pyrrol-2-yl)amino]propanoic acid
CID 115127877
(E)-4-[methyl(1H-pyrrol-2-yl)amino]but-2-enoic acid
CID 115237006
N-methyl-N-(1H-pyrrol-2-yl)piperidine-3-carboxamide
CID 115159891
1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine
CID 123915713
1-(prop-2-enylamino)-1-(1H-pyrrol-2-yl)urea
CID 67938274
1-(1H-pyrrol-2-yl)but-3-en-1-one
CID 68802026
3-methyl-4-[methyl(1H-pyrrol-2-yl)amino]butanoic acid
CID 115219832

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethenyl-3-formyl-N-methyl-N-(1H-pyrrol-2-yl)penta-2,4-dienamide?
The IUPAC name of (2Z)-2-ethenyl-3-formyl-N-methyl-N-(1H-pyrrol-2-yl)penta-2,4-dienamide (CID 143087649) is (2Z)-2-ethenyl-3-formyl-N-methyl-N-(1H-pyrrol-2-yl)penta-2,4-dienamide.
What is the SMILES notation for (2Z)-2-ethenyl-3-formyl-N-methyl-N-(1H-pyrrol-2-yl)penta-2,4-dienamide?
The canonical SMILES for (2Z)-2-ethenyl-3-formyl-N-methyl-N-(1H-pyrrol-2-yl)penta-2,4-dienamide is C=C/C(C=O)=C(\C=C)C(=O)N(C)c1ccc[nH]1.
What is the InChIKey of (2Z)-2-ethenyl-3-formyl-N-methyl-N-(1H-pyrrol-2-yl)penta-2,4-dienamide?
The InChIKey is DDUANHBHDOCNIX-KHPPLWFESA-N. The full InChI is InChI=1S/C13H14N2O2/c1-4-10(9-16)11(5-2)13(17)15(3)12-7-6-8-14-12/h4-9,14H,1-2H2,3H3/b11-10-.
What are the key properties of (2Z)-2-ethenyl-3-formyl-N-methyl-N-(1H-pyrrol-2-yl)penta-2,4-dienamide?
(2Z)-2-ethenyl-3-formyl-N-methyl-N-(1H-pyrrol-2-yl)penta-2,4-dienamide has a molecular weight of 230.27 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethenyl-3-formyl-N-methyl-N-(1H-pyrrol-2-yl)penta-2,4-dienamide is sourced from PubChem (CID 143087649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).