N-[2-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-1,3-benzodioxole-5-carboxamide

C19H20N2O3 — CID 142855861

IUPACN-[2-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESC=Cc1[nH]cc(CCNC(=O)c2ccc3c(c2)OCO3)c1/C=C\C
InChIInChI=1S/C19H20N2O3/c1-3-5-15-14(11-21-16(15)4-2)8-9-20-19(22)13-6-7-17-18(10-13)24-12-23-17/h3-7,10-11,21H,2,8-9,12H2,1H3,(H,20,22)/b5-3-
InChIKeyOVMXZRRIKYQGKF-HYXAFXHYSA-N
MW324.38 g/mol
LogP3.39
Rot. Bonds6

About N-[2-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 142855861) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID142855861
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[2-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESC=Cc1[nH]cc(CCNC(=O)c2ccc3c(c2)OCO3)c1/C=C\C
InChIInChI=1S/C19H20N2O3/c1-3-5-15-14(11-21-16(15)4-2)8-9-20-19(22)13-6-7-17-18(10-13)24-12-23-17/h3-7,10-11,21H,2,8-9,12H2,1H3,(H,20,22)/b5-3-
InChIKeyOVMXZRRIKYQGKF-HYXAFXHYSA-N
XLogP3.39
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-1,3-benzodioxole-5-carboxamide with MolForge

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Related Compounds

N-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795037
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 107487260
N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 892533
N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 113065257
N-[4-[[(E)-2-methylbut-2-enoyl]amino]butyl]-1,3-benzodioxole-5-carboxamide
CID 175600146
N-[4-(4-fluorophenyl)butyl]-1,3-benzodioxole-5-carboxamide
CID 110288748
N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide
CID 82083552
N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110743046
N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110796248
N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide
CID 110463600
N-[2-(4-oxopentanoylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108542975
N-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 25395257

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-1,3-benzodioxole-5-carboxamide (CID 142855861) is N-[2-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-1,3-benzodioxole-5-carboxamide is C=Cc1[nH]cc(CCNC(=O)c2ccc3c(c2)OCO3)c1/C=C\C.
What is the InChIKey of N-[2-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is OVMXZRRIKYQGKF-HYXAFXHYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-5-15-14(11-21-16(15)4-2)8-9-20-19(22)13-6-7-17-18(10-13)24-12-23-17/h3-7,10-11,21H,2,8-9,12H2,1H3,(H,20,22)/b5-3-.
What are the key properties of N-[2-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 142855861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).