N-[(Z)-2,3-dihydrochromen-4-ylideneamino]cyclohexanecarboxamide

C16H20N2O2 — CID 9465772

IUPACN-[(Z)-2,3-dihydrochromen-4-ylideneamino]cyclohexanecarboxamide
SMILESO=C(N/N=C1/CCOc2ccccc21)C1CCCCC1
InChIInChI=1S/C16H20N2O2/c19-16(12-6-2-1-3-7-12)18-17-14-10-11-20-15-9-5-4-8-13(14)15/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,19)/b17-14-
InChIKeySXVJJCGRJXAUSI-VKAVYKQESA-N
MW272.35 g/mol
LogP2.87
Rot. Bonds2

About N-[(Z)-2,3-dihydrochromen-4-ylideneamino]cyclohexanecarboxamide

N-[(Z)-2,3-dihydrochromen-4-ylideneamino]cyclohexanecarboxamide (PubChem CID 9465772) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(Z)-2,3-dihydrochromen-4-ylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-2,3-dihydrochromen-4-ylideneamino]cyclohexanecarboxamide
PubChem CID9465772
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(Z)-2,3-dihydrochromen-4-ylideneamino]cyclohexanecarboxamide
SMILESO=C(N/N=C1/CCOc2ccccc21)C1CCCCC1
InChIInChI=1S/C16H20N2O2/c19-16(12-6-2-1-3-7-12)18-17-14-10-11-20-15-9-5-4-8-13(14)15/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,19)/b17-14-
InChIKeySXVJJCGRJXAUSI-VKAVYKQESA-N
XLogP2.87
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.87
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

[(Z)-2,3-dihydrochromen-4-ylideneamino]thiourea
CID 25234557
tert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate
CID 8972503
1-(2,3-dihydrochromen-4-ylideneamino)-3-(2-fluorophenyl)thiourea
CID 8978703
(2S)-2-(2-chlorophenoxy)-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]propanamide
CID 93092105
N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide
CID 110471677
1-[(Z)-2,3-dihydrochromen-4-ylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 8978926
(3R)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7530045
N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(2-nitrophenoxy)propanamide
CID 10736902
(2,3-dihydrochromen-4-ylideneamino) 2-chlorobenzoate
CID 840067
N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 9216689
N-[(7-fluoro-2,3-dihydrochromen-4-ylidene)amino]propanamide
CID 134557137
N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-nitroaniline
CID 101015123

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2,3-dihydrochromen-4-ylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[(Z)-2,3-dihydrochromen-4-ylideneamino]cyclohexanecarboxamide (CID 9465772) is N-[(Z)-2,3-dihydrochromen-4-ylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(Z)-2,3-dihydrochromen-4-ylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[(Z)-2,3-dihydrochromen-4-ylideneamino]cyclohexanecarboxamide is O=C(N/N=C1/CCOc2ccccc21)C1CCCCC1.
What is the InChIKey of N-[(Z)-2,3-dihydrochromen-4-ylideneamino]cyclohexanecarboxamide?
The InChIKey is SXVJJCGRJXAUSI-VKAVYKQESA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16(12-6-2-1-3-7-12)18-17-14-10-11-20-15-9-5-4-8-13(14)15/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,19)/b17-14-.
What are the key properties of N-[(Z)-2,3-dihydrochromen-4-ylideneamino]cyclohexanecarboxamide?
N-[(Z)-2,3-dihydrochromen-4-ylideneamino]cyclohexanecarboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2,3-dihydrochromen-4-ylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 9465772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).