N-benzyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-imine

C14H17NO — CID 59511519

IUPACN-benzyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-imine
SMILESc1ccc(C/N=C2\COC3CCCC23)cc1
InChIInChI=1S/C14H17NO/c1-2-5-11(6-3-1)9-15-13-10-16-14-8-4-7-12(13)14/h1-3,5-6,12,14H,4,7-10H2/b15-13+
InChIKeySPMMLWLWNTVSFD-FYWRMAATSA-N
MW215.30 g/mol
LogP2.83
Rot. Bonds2

About N-benzyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-imine

N-benzyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-imine (PubChem CID 59511519) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-benzyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-imine.

Molecular Properties

Compound NameN-benzyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-imine
PubChem CID59511519
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-benzyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-imine
SMILESc1ccc(C/N=C2\COC3CCCC23)cc1
InChIInChI=1S/C14H17NO/c1-2-5-11(6-3-1)9-15-13-10-16-14-8-4-7-12(13)14/h1-3,5-6,12,14H,4,7-10H2/b15-13+
InChIKeySPMMLWLWNTVSFD-FYWRMAATSA-N
XLogP2.83
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-imine?
The IUPAC name of N-benzyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-imine (CID 59511519) is N-benzyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-imine.
What is the SMILES notation for N-benzyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-imine?
The canonical SMILES for N-benzyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-imine is c1ccc(C/N=C2\COC3CCCC23)cc1.
What is the InChIKey of N-benzyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-imine?
The InChIKey is SPMMLWLWNTVSFD-FYWRMAATSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-5-11(6-3-1)9-15-13-10-16-14-8-4-7-12(13)14/h1-3,5-6,12,14H,4,7-10H2/b15-13+.
What are the key properties of N-benzyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-imine?
N-benzyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-imine has a molecular weight of 215.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-imine is sourced from PubChem (CID 59511519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).