3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide

C12H12N2O2 — CID 115173560

IUPAC3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
SMILESN#CCCC(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C12H12N2O2/c13-6-1-2-12(15)14-10-3-4-11-9(8-10)5-7-16-11/h3-4,8H,1-2,5,7H2,(H,14,15)
InChIKeyBMBHXJDVRQTENV-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.86
Rot. Bonds3

About 3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide

3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide (PubChem CID 115173560) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide.

Molecular Properties

Compound Name3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
PubChem CID115173560
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
SMILESN#CCCC(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C12H12N2O2/c13-6-1-2-12(15)14-10-3-4-11-9(8-10)5-7-16-11/h3-4,8H,1-2,5,7H2,(H,14,15)
InChIKeyBMBHXJDVRQTENV-UHFFFAOYSA-N
XLogP1.86
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 115173480
2-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 43701447
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pentanamide
CID 107909036
3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 34439811
7-amino-N-(2,3-dihydro-1-benzofuran-5-yl)heptanamide;hydrochloride
CID 119728510
N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 134012127
N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide
CID 110726242
2-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-oxoethyl]sulfanylacetic acid
CID 113427707
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-fluorophenyl)propanamide
CID 34433022
N-(2,3-dihydro-1-benzofuran-5-yl)-3-naphthalen-2-ylpropanamide
CID 112844361
5-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-5-oxopentanoic acid
CID 62965231
3-cyano-N-(3,4-dihydro-2H-thiochromen-6-yl)propanamide
CID 115173559

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide?
The IUPAC name of 3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide (CID 115173560) is 3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide.
What is the SMILES notation for 3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide?
The canonical SMILES for 3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide is N#CCCC(=O)Nc1ccc2c(c1)CCO2.
What is the InChIKey of 3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide?
The InChIKey is BMBHXJDVRQTENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-6-1-2-12(15)14-10-3-4-11-9(8-10)5-7-16-11/h3-4,8H,1-2,5,7H2,(H,14,15).
What are the key properties of 3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide?
3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide has a molecular weight of 216.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide is sourced from PubChem (CID 115173560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).