N-(1-cyanocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide

C17H20N2O2 — CID 60704683

IUPACN-(1-cyanocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESN#CC1(NC(=O)C2COc3ccccc3C2)CCCCC1
InChIInChI=1S/C17H20N2O2/c18-12-17(8-4-1-5-9-17)19-16(20)14-10-13-6-2-3-7-15(13)21-11-14/h2-3,6-7,14H,1,4-5,8-11H2,(H,19,20)
InChIKeyKJMGMZYCOXMZSA-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.58
Rot. Bonds2

About N-(1-cyanocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide

N-(1-cyanocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 60704683) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID60704683
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(1-cyanocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESN#CC1(NC(=O)C2COc3ccccc3C2)CCCCC1
InChIInChI=1S/C17H20N2O2/c18-12-17(8-4-1-5-9-17)19-16(20)14-10-13-6-2-3-7-15(13)21-11-14/h2-3,6-7,14H,1,4-5,8-11H2,(H,19,20)
InChIKeyKJMGMZYCOXMZSA-UHFFFAOYSA-N
XLogP2.58
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate
CID 46639086
N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64867410
1-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopropane-1-carboxylic acid
CID 65453008
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 115362407
N-(2-cyanophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 60675908
N-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63589285
N-(4-cyanobutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63284588
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
N-(1-cyanocyclooctyl)cyclohexanecarboxamide
CID 54904581
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134015589
N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 104927114

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(1-cyanocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 60704683) is N-(1-cyanocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide is N#CC1(NC(=O)C2COc3ccccc3C2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is KJMGMZYCOXMZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-12-17(8-4-1-5-9-17)19-16(20)14-10-13-6-2-3-7-15(13)21-11-14/h2-3,6-7,14H,1,4-5,8-11H2,(H,19,20).
What are the key properties of N-(1-cyanocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(1-cyanocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 60704683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).