N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide

C14H17NO3 — CID 113091236

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide
SMILESCCC(=O)NC1(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C14H17NO3/c1-2-13(16)15-14(5-6-14)10-3-4-11-12(9-10)18-8-7-17-11/h3-4,9H,2,5-8H2,1H3,(H,15,16)
InChIKeyCZZHKAOHYAENGR-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.97
Rot. Bonds3

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide (PubChem CID 113091236) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide
PubChem CID113091236
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide
SMILESCCC(=O)NC1(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C14H17NO3/c1-2-13(16)15-14(5-6-14)10-3-4-11-12(9-10)18-8-7-17-11/h3-4,9H,2,5-8H2,1H3,(H,15,16)
InChIKeyCZZHKAOHYAENGR-UHFFFAOYSA-N
XLogP1.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]pentanamide
CID 113091240
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide
CID 146106549
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-pentylurea
CID 113215989
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide
CID 113091248
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-3-hydroxy-3-phenylbutanamide
CID 126793335
3-bromo-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide
CID 113091256
1-(3,4-difluorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea
CID 113216084
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-(4-fluorophenyl)urea
CID 113216021
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,2-diphenylacetamide
CID 113091265
N-(1-phenylcyclopropyl)propanamide
CID 110441332
1-(3-chloro-4-methoxyphenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea
CID 113216031
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60500684

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide (CID 113091236) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide is CCC(=O)NC1(c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide?
The InChIKey is CZZHKAOHYAENGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-13(16)15-14(5-6-14)10-3-4-11-12(9-10)18-8-7-17-11/h3-4,9H,2,5-8H2,1H3,(H,15,16).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide has a molecular weight of 247.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide is sourced from PubChem (CID 113091236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).