N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide

C13H22N2O2 — CID 119345577

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCC2OCCC12)C1CCCN1
InChIInChI=1S/C13H22N2O2/c16-13(11-4-2-7-14-11)15-10-3-1-5-12-9(10)6-8-17-12/h9-12,14H,1-8H2,(H,15,16)
InChIKeyYEXBCGUPFQBRFN-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.81
Rot. Bonds2

About N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide

N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide (PubChem CID 119345577) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide
PubChem CID119345577
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCC2OCCC12)C1CCCN1
InChIInChI=1S/C13H22N2O2/c16-13(11-4-2-7-14-11)15-10-3-1-5-12-9(10)6-8-17-12/h9-12,14H,1-8H2,(H,15,16)
InChIKeyYEXBCGUPFQBRFN-UHFFFAOYSA-N
XLogP0.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119345560
N-(2-methylcyclopentyl)pyrrolidine-2-carboxamide
CID 63281892
(2S)-N-[2-(hydroxymethyl)cyclopentyl]pyrrolidine-2-carboxamide
CID 103796945
(2R)-N-[2-(hydroxymethyl)cyclopentyl]pyrrolidine-2-carboxamide
CID 103796942
N-(2-cyclopropylcyclopropyl)pyrrolidine-2-carboxamide
CID 130748065
N-(2-hydroxycyclohexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 110911866
(2R)-N-(2-methylsulfanylcyclopentyl)pyrrolidine-2-carboxamide
CID 103797263
(2R)-N-(4-methyloxolan-3-yl)pyrrolidine-2-carboxamide
CID 164659167
N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119327690
(2S)-N-(2-tert-butylcyclohexyl)pyrrolidine-2-carboxamide
CID 61155156
(2R)-N-(2-propan-2-ylcyclohexyl)pyrrolidine-2-carboxamide
CID 103796390
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012

Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide (CID 119345577) is N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide is O=C(NC1CCCC2OCCC12)C1CCCN1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is YEXBCGUPFQBRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-13(11-4-2-7-14-11)15-10-3-1-5-12-9(10)6-8-17-12/h9-12,14H,1-8H2,(H,15,16).
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide?
N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119345577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).