2-benzyl-2-(1-naphthalen-2-ylbut-3-enyl)propanedinitrile

C24H20N2 — CID 71723503

IUPAC2-benzyl-2-(1-naphthalen-2-ylbut-3-enyl)propanedinitrile
SMILESC=CCC(c1ccc2ccccc2c1)C(C#N)(C#N)Cc1ccccc1
InChIInChI=1S/C24H20N2/c1-2-8-23(22-14-13-20-11-6-7-12-21(20)15-22)24(17-25,18-26)16-19-9-4-3-5-10-19/h2-7,9-15,23H,1,8,16H2
InChIKeyCVYNGQVJSVZMDV-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.78
Rot. Bonds6

About 2-benzyl-2-(1-naphthalen-2-ylbut-3-enyl)propanedinitrile

2-benzyl-2-(1-naphthalen-2-ylbut-3-enyl)propanedinitrile (PubChem CID 71723503) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-benzyl-2-(1-naphthalen-2-ylbut-3-enyl)propanedinitrile.

Molecular Properties

Compound Name2-benzyl-2-(1-naphthalen-2-ylbut-3-enyl)propanedinitrile
PubChem CID71723503
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name2-benzyl-2-(1-naphthalen-2-ylbut-3-enyl)propanedinitrile
SMILESC=CCC(c1ccc2ccccc2c1)C(C#N)(C#N)Cc1ccccc1
InChIInChI=1S/C24H20N2/c1-2-8-23(22-14-13-20-11-6-7-12-21(20)15-22)24(17-25,18-26)16-19-9-4-3-5-10-19/h2-7,9-15,23H,1,8,16H2
InChIKeyCVYNGQVJSVZMDV-UHFFFAOYSA-N
XLogP5.78
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-2-[1-(4-bromophenyl)but-3-enyl]propanedinitrile
CID 71722318
2-naphthalen-2-yl-2-phenylacetonitrile
CID 44719900
2-phenylethyl (2R)-2-naphthalen-2-ylpent-4-enoate
CID 101472479
(2R)-2-naphthalen-2-yl-2-phenylmethoxyacetonitrile
CID 94037815
(1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine
CID 135000197
2,2-bis(2-chloro-2-naphthalen-2-ylethyl)propanedinitrile
CID 51041494
2-benzyl-2-ethenylpropanedinitrile
CID 54049686
2-[4-(naphthalene-2-carbonyl)phenyl]pent-4-enoic acid
CID 21391762
1-naphthalen-2-yl-2-phenylethanol
CID 2793947
[(1R)-1-naphthalen-2-ylbut-3-enyl] prop-2-enoate
CID 67366945
3,4-dihydroxy-4-naphthalen-2-ylbutanenitrile
CID 171901152
1-naphthalen-2-ylprop-2-en-1-ol
CID 10921194

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-(1-naphthalen-2-ylbut-3-enyl)propanedinitrile?
The IUPAC name of 2-benzyl-2-(1-naphthalen-2-ylbut-3-enyl)propanedinitrile (CID 71723503) is 2-benzyl-2-(1-naphthalen-2-ylbut-3-enyl)propanedinitrile.
What is the SMILES notation for 2-benzyl-2-(1-naphthalen-2-ylbut-3-enyl)propanedinitrile?
The canonical SMILES for 2-benzyl-2-(1-naphthalen-2-ylbut-3-enyl)propanedinitrile is C=CCC(c1ccc2ccccc2c1)C(C#N)(C#N)Cc1ccccc1.
What is the InChIKey of 2-benzyl-2-(1-naphthalen-2-ylbut-3-enyl)propanedinitrile?
The InChIKey is CVYNGQVJSVZMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c1-2-8-23(22-14-13-20-11-6-7-12-21(20)15-22)24(17-25,18-26)16-19-9-4-3-5-10-19/h2-7,9-15,23H,1,8,16H2.
What are the key properties of 2-benzyl-2-(1-naphthalen-2-ylbut-3-enyl)propanedinitrile?
2-benzyl-2-(1-naphthalen-2-ylbut-3-enyl)propanedinitrile has a molecular weight of 336.44 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-(1-naphthalen-2-ylbut-3-enyl)propanedinitrile is sourced from PubChem (CID 71723503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).