5-bromo-N-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide

C12H13BrN2O2 — CID 6744568

IUPAC5-bromo-N-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide
SMILESO=C(NN=C[C@H]1CC=CCC1)c1ccc(Br)o1
InChIInChI=1S/C12H13BrN2O2/c13-11-7-6-10(17-11)12(16)15-14-8-9-4-2-1-3-5-9/h1-2,6-9H,3-5H2,(H,15,16)/t9-/m0/s1
InChIKeyPDJKTJRIVHHRDK-VIFPVBQESA-N
MW297.15 g/mol
LogP3.11
Rot. Bonds3

About 5-bromo-N-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide

5-bromo-N-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide (PubChem CID 6744568) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 5-bromo-N-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide
PubChem CID6744568
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name5-bromo-N-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide
SMILESO=C(NN=C[C@H]1CC=CCC1)c1ccc(Br)o1
InChIInChI=1S/C12H13BrN2O2/c13-11-7-6-10(17-11)12(16)15-14-8-9-4-2-1-3-5-9/h1-2,6-9H,3-5H2,(H,15,16)/t9-/m0/s1
InChIKeyPDJKTJRIVHHRDK-VIFPVBQESA-N
XLogP3.11
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohex-3-en-1-ylmethylideneamino)pyridine-3-carboxamide
CID 2847162
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518160
5-bromo-N-(2-methylpropylideneamino)furan-2-carboxamide
CID 4195211
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide
CID 6544583
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide
CID 9215546
2-(4-bromophenoxy)-N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]acetamide
CID 7832141
N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-nitrophenyl)acetamide
CID 5116779
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 5390946
N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110337371
(3S)-N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9238112
4-chloro-N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1-methylpyrazole-3-carboxamide
CID 6542114
5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 2171671

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide (CID 6744568) is 5-bromo-N-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide is O=C(NN=C[C@H]1CC=CCC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide?
The InChIKey is PDJKTJRIVHHRDK-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13BrN2O2/c13-11-7-6-10(17-11)12(16)15-14-8-9-4-2-1-3-5-9/h1-2,6-9H,3-5H2,(H,15,16)/t9-/m0/s1.
What are the key properties of 5-bromo-N-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide?
5-bromo-N-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide has a molecular weight of 297.15 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 6744568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).