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

C15H17NO2 — CID 42951851

IUPACN-(2,3-dihydro-1-benzofuran-5-yl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCO2)C1CC=CCC1
InChIInChI=1S/C15H17NO2/c17-15(11-4-2-1-3-5-11)16-13-6-7-14-12(10-13)8-9-18-14/h1-2,6-7,10-11H,3-5,8-9H2,(H,16,17)
InChIKeyRFYGAKFAJWMNKE-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.92
Rot. Bonds2

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

N-(2,3-dihydro-1-benzofuran-5-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 42951851) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-yl)cyclohex-3-ene-1-carboxamide
PubChem CID42951851
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-yl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCO2)C1CC=CCC1
InChIInChI=1S/C15H17NO2/c17-15(11-4-2-1-3-5-11)16-13-6-7-14-12(10-13)8-9-18-14/h1-2,6-7,10-11H,3-5,8-9H2,(H,16,17)
InChIKeyRFYGAKFAJWMNKE-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.92
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

4-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120673090
N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119728515
2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975485
(1S)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]cyclohex-3-ene-1-carboxamide
CID 100692970
N-(2,3-dihydro-1-benzofuran-5-yl)oxolane-2-carboxamide
CID 42951848
N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide
CID 42951853
(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 8743787
(1R)-N-naphthalen-2-ylcyclohex-3-ene-1-carboxamide
CID 8762294
4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide
CID 8885141
N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrrolidine-3-carboxamide
CID 79388352
N-(4-bromo-3-chlorophenyl)cyclohex-3-ene-1-carboxamide
CID 103824527

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)cyclohex-3-ene-1-carboxamide (CID 42951851) is N-(2,3-dihydro-1-benzofuran-5-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-yl)cyclohex-3-ene-1-carboxamide is O=C(Nc1ccc2c(c1)CCO2)C1CC=CCC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is RFYGAKFAJWMNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-15(11-4-2-1-3-5-11)16-13-6-7-14-12(10-13)8-9-18-14/h1-2,6-7,10-11H,3-5,8-9H2,(H,16,17).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-yl)cyclohex-3-ene-1-carboxamide?
N-(2,3-dihydro-1-benzofuran-5-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.92, 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)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 42951851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).