N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide

C13H15NO2 — CID 42951853

IUPACN-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C13H15NO2/c1-8-6-11(8)13(15)14-10-2-3-12-9(7-10)4-5-16-12/h2-3,7-8,11H,4-6H2,1H3,(H,14,15)
InChIKeyGRKQWTRDLYRPKY-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.22
Rot. Bonds2

About N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide

N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide (PubChem CID 42951853) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide
PubChem CID42951853
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C13H15NO2/c1-8-6-11(8)13(15)14-10-2-3-12-9(7-10)4-5-16-12/h2-3,7-8,11H,4-6H2,1H3,(H,14,15)
InChIKeyGRKQWTRDLYRPKY-UHFFFAOYSA-N
XLogP2.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975485
N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrrolidine-3-carboxamide
CID 79388352
trans-(1S,2S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropane-1-carboxamide
CID 30795803
4-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120673090
N-(2,3-dihydro-1-benzofuran-5-yl)oxolane-2-carboxamide
CID 42951848
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119728515
N-(2,3-dihydro-1-benzofuran-5-yl)cyclohex-3-ene-1-carboxamide
CID 42951851
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866610
2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 107903969
2-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 43701447
N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide
CID 110726242
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea
CID 110866492

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide (CID 42951853) is N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is GRKQWTRDLYRPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8-6-11(8)13(15)14-10-2-3-12-9(7-10)4-5-16-12/h2-3,7-8,11H,4-6H2,1H3,(H,14,15).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide?
N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 42951853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).