N-(3,4-dihydro-2H-chromen-4-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C17H22N2O2 — CID 102891199

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESO=C(NC1CCOc2ccccc21)C1NCC2CCCC21
InChIInChI=1S/C17H22N2O2/c20-17(16-12-6-3-4-11(12)10-18-16)19-14-8-9-21-15-7-2-1-5-13(14)15/h1-2,5,7,11-12,14,16,18H,3-4,6,8-10H2,(H,19,20)
InChIKeyDLWNKGFAFSYOTR-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.01
Rot. Bonds2

About N-(3,4-dihydro-2H-chromen-4-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-(3,4-dihydro-2H-chromen-4-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102891199) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102891199
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESO=C(NC1CCOc2ccccc21)C1NCC2CCCC21
InChIInChI=1S/C17H22N2O2/c20-17(16-12-6-3-4-11(12)10-18-16)19-14-8-9-21-15-7-2-1-5-13(14)15/h1-2,5,7,11-12,14,16,18H,3-4,6,8-10H2,(H,19,20)
InChIKeyDLWNKGFAFSYOTR-UHFFFAOYSA-N
XLogP2.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119685148
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)cyclopentane-1-carboxamide
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N-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide
CID 43709570
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide
CID 16559700
N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
CID 110866526
N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide
CID 110471677
ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate
CID 62365066
(2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9091701
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119685138
(8aR)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-hydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
CID 66927406
2-[[amino-(cyclobutylamino)methylidene]amino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 122095961
N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102891199) is N-(3,4-dihydro-2H-chromen-4-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is O=C(NC1CCOc2ccccc21)C1NCC2CCCC21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is DLWNKGFAFSYOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-17(16-12-6-3-4-11(12)10-18-16)19-14-8-9-21-15-7-2-1-5-13(14)15/h1-2,5,7,11-12,14,16,18H,3-4,6,8-10H2,(H,19,20).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-(3,4-dihydro-2H-chromen-4-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102891199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).