but-2-ene;5-phenylpenta-2,4-dienenitrile

C15H17N — CID 158887815

IUPACbut-2-ene;5-phenylpenta-2,4-dienenitrile
SMILESCC=CC.N#CC=CC=Cc1ccccc1
InChIInChI=1S/C11H9N.C4H8/c12-10-6-2-5-9-11-7-3-1-4-8-11;1-3-4-2/h1-9H;3-4H,1-2H3
InChIKeyJDVSOFZJWNDLOE-UHFFFAOYSA-N
MW211.31 g/mol
LogP4.36
Rot. Bonds2

About but-2-ene;5-phenylpenta-2,4-dienenitrile

but-2-ene;5-phenylpenta-2,4-dienenitrile (PubChem CID 158887815) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is but-2-ene;5-phenylpenta-2,4-dienenitrile.

Molecular Properties

Compound Namebut-2-ene;5-phenylpenta-2,4-dienenitrile
PubChem CID158887815
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Namebut-2-ene;5-phenylpenta-2,4-dienenitrile
SMILESCC=CC.N#CC=CC=Cc1ccccc1
InChIInChI=1S/C11H9N.C4H8/c12-10-6-2-5-9-11-7-3-1-4-8-11;1-3-4-2/h1-9H;3-4H,1-2H3
InChIKeyJDVSOFZJWNDLOE-UHFFFAOYSA-N
XLogP4.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E)-5-phenylpenta-2,4-dienenitrile
CID 11715210
5-phenylpenta-2,4-dienenitrile;2-prop-1-enylbenzonitrile
CID 158613192
buta-1,3-diene;methyl prop-2-enoate;5-phenylpenta-2,4-dienenitrile
CID 159572196
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
furan-2,5-dione;5-phenylpenta-2,4-dienenitrile;1-phenylpyrrole-2,5-dione
CID 161142111
2-(7-phenylhepta-2,4,6-trienylidene)propanedinitrile
CID 575621
2-butoxyethenylbenzene;5-(4-hydroxyphenyl)penta-2,4-dienenitrile
CID 173070721
(2E,4E)-5-(4-nitrophenyl)penta-2,4-dienenitrile
CID 15061744
ethane;[(Z)-prop-1-enyl]benzene
CID 90831801
CID 157355117
CID 157355117

Frequently Asked Questions

What is the IUPAC name of but-2-ene;5-phenylpenta-2,4-dienenitrile?
The IUPAC name of but-2-ene;5-phenylpenta-2,4-dienenitrile (CID 158887815) is but-2-ene;5-phenylpenta-2,4-dienenitrile.
What is the SMILES notation for but-2-ene;5-phenylpenta-2,4-dienenitrile?
The canonical SMILES for but-2-ene;5-phenylpenta-2,4-dienenitrile is CC=CC.N#CC=CC=Cc1ccccc1.
What is the InChIKey of but-2-ene;5-phenylpenta-2,4-dienenitrile?
The InChIKey is JDVSOFZJWNDLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N.C4H8/c12-10-6-2-5-9-11-7-3-1-4-8-11;1-3-4-2/h1-9H;3-4H,1-2H3.
What are the key properties of but-2-ene;5-phenylpenta-2,4-dienenitrile?
but-2-ene;5-phenylpenta-2,4-dienenitrile has a molecular weight of 211.31 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene;5-phenylpenta-2,4-dienenitrile is sourced from PubChem (CID 158887815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).