N-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide

C12H16N2O2 — CID 6231530

IUPACN-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide
SMILESO=C(N/N=C\c1ccoc1)C1CCCCC1
InChIInChI=1S/C12H16N2O2/c15-12(11-4-2-1-3-5-11)14-13-8-10-6-7-16-9-10/h6-9,11H,1-5H2,(H,14,15)/b13-8-
InChIKeyCKPXAGZJNGNDCK-JYRVWZFOSA-N
MW220.27 g/mol
LogP2.31
Rot. Bonds3

About N-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide

N-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide (PubChem CID 6231530) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide
PubChem CID6231530
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide
SMILESO=C(N/N=C\c1ccoc1)C1CCCCC1
InChIInChI=1S/C12H16N2O2/c15-12(11-4-2-1-3-5-11)14-13-8-10-6-7-16-9-10/h6-9,11H,1-5H2,(H,14,15)/b13-8-
InChIKeyCKPXAGZJNGNDCK-JYRVWZFOSA-N
XLogP2.31
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-[(Z)-furan-3-ylmethylideneamino]-1-methylsulfonylpiperidine-3-carboxamide
CID 27485860
N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide
CID 5427449
N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 922325
N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 966794
N-[(Z)-(3,4-difluorophenyl)methylideneamino]cyclohexanecarboxamide
CID 9465740
methyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate
CID 6020609
N-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide
CID 54518207
N-[(5-methylthiophen-2-yl)methylideneamino]cyclohexanecarboxamide
CID 922314
(furan-3-ylmethylideneamino)thiourea
CID 71406800
N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 6079987
N-[(Z)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide
CID 5394876

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide (CID 6231530) is N-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide is O=C(N/N=C\c1ccoc1)C1CCCCC1.
What is the InChIKey of N-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide?
The InChIKey is CKPXAGZJNGNDCK-JYRVWZFOSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(11-4-2-1-3-5-11)14-13-8-10-6-7-16-9-10/h6-9,11H,1-5H2,(H,14,15)/b13-8-.
What are the key properties of N-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide?
N-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide has a molecular weight of 220.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 6231530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).