N-(3-butyl-4-cyanoisochromen-1-ylidene)pentanamide

C19H22N2O2 — CID 101156061

IUPACN-(3-butyl-4-cyanoisochromen-1-ylidene)pentanamide
SMILESCCCCC(=O)/N=c1\oc(CCCC)c(C#N)c2ccccc12
InChIInChI=1S/C19H22N2O2/c1-3-5-11-17-16(13-20)14-9-7-8-10-15(14)19(23-17)21-18(22)12-6-4-2/h7-10H,3-6,11-12H2,1-2H3/b21-19-
InChIKeyVHOQAZFRCIAOIN-VZCXRCSSSA-N
MW310.40 g/mol
LogP4.26
Rot. Bonds6

About N-(3-butyl-4-cyanoisochromen-1-ylidene)pentanamide

N-(3-butyl-4-cyanoisochromen-1-ylidene)pentanamide (PubChem CID 101156061) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(3-butyl-4-cyanoisochromen-1-ylidene)pentanamide.

Molecular Properties

Compound NameN-(3-butyl-4-cyanoisochromen-1-ylidene)pentanamide
PubChem CID101156061
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(3-butyl-4-cyanoisochromen-1-ylidene)pentanamide
SMILESCCCCC(=O)/N=c1\oc(CCCC)c(C#N)c2ccccc12
InChIInChI=1S/C19H22N2O2/c1-3-5-11-17-16(13-20)14-9-7-8-10-15(14)19(23-17)21-18(22)12-6-4-2/h7-10H,3-6,11-12H2,1-2H3/b21-19-
InChIKeyVHOQAZFRCIAOIN-VZCXRCSSSA-N
XLogP4.26
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1H-1-Acetylimino-3-methylbenzo[c]pyran-4-carbonitrile
CID 819925
Cyclopent[e]-1,3-oxazin-4(5H)-one, 6,7-dihydro-2-(2-methylphenyl)-
CID 12301534
3-Methyl-1-(2-oxoethylimino)isochromene-4-carbonitrile
CID 71776155
N-(3-butyl-4-cyano-6-methoxyisochromen-1-ylidene)pentanamide
CID 101156062
4-(1-Butylimino-3-hexylisochromen-4-yl)butan-2-one
CID 132555152

Frequently Asked Questions

What is the IUPAC name of N-(3-butyl-4-cyanoisochromen-1-ylidene)pentanamide?
The IUPAC name of N-(3-butyl-4-cyanoisochromen-1-ylidene)pentanamide (CID 101156061) is N-(3-butyl-4-cyanoisochromen-1-ylidene)pentanamide.
What is the SMILES notation for N-(3-butyl-4-cyanoisochromen-1-ylidene)pentanamide?
The canonical SMILES for N-(3-butyl-4-cyanoisochromen-1-ylidene)pentanamide is CCCCC(=O)/N=c1\oc(CCCC)c(C#N)c2ccccc12.
What is the InChIKey of N-(3-butyl-4-cyanoisochromen-1-ylidene)pentanamide?
The InChIKey is VHOQAZFRCIAOIN-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-5-11-17-16(13-20)14-9-7-8-10-15(14)19(23-17)21-18(22)12-6-4-2/h7-10H,3-6,11-12H2,1-2H3/b21-19-.
What are the key properties of N-(3-butyl-4-cyanoisochromen-1-ylidene)pentanamide?
N-(3-butyl-4-cyanoisochromen-1-ylidene)pentanamide has a molecular weight of 310.40 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butyl-4-cyanoisochromen-1-ylidene)pentanamide is sourced from PubChem (CID 101156061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).