N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)furan-2-carboxamide

C13H18N2O2 — CID 115267746

IUPACN-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)furan-2-carboxamide
SMILESNC1CC2CC(NC(=O)c3ccco3)CC2C1
InChIInChI=1S/C13H18N2O2/c14-10-4-8-6-11(7-9(8)5-10)15-13(16)12-2-1-3-17-12/h1-3,8-11H,4-7,14H2,(H,15,16)
InChIKeyAGULHTVJGLABHD-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.53
Rot. Bonds2

About N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)furan-2-carboxamide

N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)furan-2-carboxamide (PubChem CID 115267746) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)furan-2-carboxamide
PubChem CID115267746
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)furan-2-carboxamide
SMILESNC1CC2CC(NC(=O)c3ccco3)CC2C1
InChIInChI=1S/C13H18N2O2/c14-10-4-8-6-11(7-9(8)5-10)15-13(16)12-2-1-3-17-12/h1-3,8-11H,4-7,14H2,(H,15,16)
InChIKeyAGULHTVJGLABHD-UHFFFAOYSA-N
XLogP1.53
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminocyclobutyl)furan-2-carboxamide
CID 43594882
N-(3,5-dimethylcyclohexyl)furan-2-carboxamide
CID 64722741
N-cyclooctylfuran-2-carboxamide
CID 790432
N-(1,1-dioxothietan-3-yl)furan-2-carboxamide
CID 130935311
N-(4-bromocyclohexyl)furan-2-carboxamide
CID 114309141
N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide
CID 115563926
N-[4-(2-hydroxyethyl)cyclohexyl]furan-2-carboxamide
CID 115270358
N-(thiolan-3-yl)furan-2-carboxamide
CID 103708637
N-(1-ethylazetidin-3-yl)furan-2-carboxamide
CID 130639837
ethyl N-[4-(furan-2-carbonylamino)cyclohexyl]carbamate
CID 100613530
N'-[(1S,5R)-bicyclo[3.1.0]hexane-3-carbonyl]furan-2-carbohydrazide
CID 154865742
methyl 2-[4-(furan-2-carbonylamino)cyclohexyl]acetate
CID 115270327

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)furan-2-carboxamide?
The IUPAC name of N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)furan-2-carboxamide (CID 115267746) is N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)furan-2-carboxamide is NC1CC2CC(NC(=O)c3ccco3)CC2C1.
What is the InChIKey of N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)furan-2-carboxamide?
The InChIKey is AGULHTVJGLABHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-10-4-8-6-11(7-9(8)5-10)15-13(16)12-2-1-3-17-12/h1-3,8-11H,4-7,14H2,(H,15,16).
What are the key properties of N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)furan-2-carboxamide?
N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)furan-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)furan-2-carboxamide is sourced from PubChem (CID 115267746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).