N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide

C12H13NO3 — CID 730787

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C12H13NO3/c14-12(8-1-2-8)13-9-3-4-10-11(7-9)16-6-5-15-10/h3-4,7-8H,1-2,5-6H2,(H,13,14)
InChIKeyAITRFRZZOODCFA-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.81
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide (PubChem CID 730787) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
PubChem CID730787
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C12H13NO3/c14-12(8-1-2-8)13-9-3-4-10-11(7-9)16-6-5-15-10/h3-4,7-8H,1-2,5-6H2,(H,13,14)
InChIKeyAITRFRZZOODCFA-UHFFFAOYSA-N
XLogP1.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 66031472
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146056
4-(azepane-1-carbonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1-carboxamide
CID 109150262
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149490
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149881
trans-(1S,2S)-1-N,2-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 11881118
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344159
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
CID 757856
N-(1,3-benzodioxol-5-yl)-1,1-dioxothiane-4-carboxamide
CID 110863226
N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide
CID 110863146
N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 18901288
1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150450

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide (CID 730787) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide is O=C(Nc1ccc2c(c1)OCCO2)C1CC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide?
The InChIKey is AITRFRZZOODCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-12(8-1-2-8)13-9-3-4-10-11(7-9)16-6-5-15-10/h3-4,7-8H,1-2,5-6H2,(H,13,14).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide is sourced from PubChem (CID 730787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).