N-[3-(1,3-benzodioxol-5-yl)prop-2-enyl]acetamide

C12H13NO3 — CID 169465574

IUPACN-[3-(1,3-benzodioxol-5-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc2c(c1)OCO2
InChIInChI=1S/C12H13NO3/c1-9(14)13-6-2-3-10-4-5-11-12(7-10)16-8-15-11/h2-5,7H,6,8H2,1H3,(H,13,14)
InChIKeyCRTPBVSSDPWFEC-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.56
Rot. Bonds3

About N-[3-(1,3-benzodioxol-5-yl)prop-2-enyl]acetamide

N-[3-(1,3-benzodioxol-5-yl)prop-2-enyl]acetamide (PubChem CID 169465574) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-yl)prop-2-enyl]acetamide
PubChem CID169465574
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC NameN-[3-(1,3-benzodioxol-5-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc2c(c1)OCO2
InChIInChI=1S/C12H13NO3/c1-9(14)13-6-2-3-10-4-5-11-12(7-10)16-8-15-11/h2-5,7H,6,8H2,1H3,(H,13,14)
InChIKeyCRTPBVSSDPWFEC-UHFFFAOYSA-N
XLogP1.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] methyl carbonate
CID 101356088
N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]acetamide
CID 169465576
N-[3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enyl]acetamide
CID 169466691
N-[3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enyl]acetamide
CID 169466156
3-(1,3-benzodioxol-5-yl)prop-2-enyl 3-oxobutanoate
CID 57373270
(Z)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
CID 5385558
14-(1,3-benzodioxol-5-yl)tetradec-13-en-2-one
CID 71417054
N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide
CID 169466489
formaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole
CID 6442051
(E)-3-(1,3-benzodioxol-5-yl)-N-[8-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]octyl]prop-2-enamide
CID 6306583
N-[2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 74629544
N-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]acetamide
CID 169466209

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(1,3-benzodioxol-5-yl)prop-2-enyl]acetamide (CID 169465574) is N-[3-(1,3-benzodioxol-5-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-yl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc2c(c1)OCO2.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-yl)prop-2-enyl]acetamide?
The InChIKey is CRTPBVSSDPWFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-9(14)13-6-2-3-10-4-5-11-12(7-10)16-8-15-11/h2-5,7H,6,8H2,1H3,(H,13,14).
What are the key properties of N-[3-(1,3-benzodioxol-5-yl)prop-2-enyl]acetamide?
N-[3-(1,3-benzodioxol-5-yl)prop-2-enyl]acetamide has a molecular weight of 219.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).