N-prop-2-enyl-1,3-dihydro-2-benzofuran-5-carboxamide

C12H13NO2 — CID 49192019

IUPACN-prop-2-enyl-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESC=CCNC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C12H13NO2/c1-2-5-13-12(14)9-3-4-10-7-15-8-11(10)6-9/h2-4,6H,1,5,7-8H2,(H,13,14)
InChIKeyOCHZZMQYZCCAFN-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.63
Rot. Bonds3

About N-prop-2-enyl-1,3-dihydro-2-benzofuran-5-carboxamide

N-prop-2-enyl-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 49192019) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-prop-2-enyl-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID49192019
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC NameN-prop-2-enyl-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESC=CCNC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C12H13NO2/c1-2-5-13-12(14)9-3-4-10-7-15-8-11(10)6-9/h2-4,6H,1,5,7-8H2,(H,13,14)
InChIKeyOCHZZMQYZCCAFN-UHFFFAOYSA-N
XLogP1.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63744532
N-(4-bromobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 106846002
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)acetate
CID 49192128
N-[2-(propan-2-ylamino)ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63743519
N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732460
N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 107231658
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 63733095
1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54451991
N-(2-amino-2-ethylbutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 81484647
N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732267
methyl 3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-hydroxypropanoate
CID 103958226

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-prop-2-enyl-1,3-dihydro-2-benzofuran-5-carboxamide (CID 49192019) is N-prop-2-enyl-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-prop-2-enyl-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-prop-2-enyl-1,3-dihydro-2-benzofuran-5-carboxamide is C=CCNC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of N-prop-2-enyl-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is OCHZZMQYZCCAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-5-13-12(14)9-3-4-10-7-15-8-11(10)6-9/h2-4,6H,1,5,7-8H2,(H,13,14).
What are the key properties of N-prop-2-enyl-1,3-dihydro-2-benzofuran-5-carboxamide?
N-prop-2-enyl-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 203.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 49192019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).