(E)-2-(diethylamino)-5-phenylpent-4-enenitrile

C15H20N2 — CID 102076929

IUPAC(E)-2-(diethylamino)-5-phenylpent-4-enenitrile
SMILESCCN(CC)C(C#N)C/C=C/c1ccccc1
InChIInChI=1S/C15H20N2/c1-3-17(4-2)15(13-16)12-8-11-14-9-6-5-7-10-14/h5-11,15H,3-4,12H2,1-2H3/b11-8+
InChIKeyVAYHKZXDHQRGQZ-DHZHZOJOSA-N
MW228.34 g/mol
LogP3.32
Rot. Bonds6

About (E)-2-(diethylamino)-5-phenylpent-4-enenitrile

(E)-2-(diethylamino)-5-phenylpent-4-enenitrile (PubChem CID 102076929) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (E)-2-(diethylamino)-5-phenylpent-4-enenitrile.

Molecular Properties

Compound Name(E)-2-(diethylamino)-5-phenylpent-4-enenitrile
PubChem CID102076929
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(E)-2-(diethylamino)-5-phenylpent-4-enenitrile
SMILESCCN(CC)C(C#N)C/C=C/c1ccccc1
InChIInChI=1S/C15H20N2/c1-3-17(4-2)15(13-16)12-8-11-14-9-6-5-7-10-14/h5-11,15H,3-4,12H2,1-2H3/b11-8+
InChIKeyVAYHKZXDHQRGQZ-DHZHZOJOSA-N
XLogP3.32
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(Z)-3-phenylprop-2-enyl]propanedinitrile
CID 121008435
ethyl 2-cyano-5-phenylpent-4-enoate
CID 72737820
4-chloropent-1-enylbenzene
CID 66808272
(E)-5-phenylpent-4-en-2-amine
CID 55254237
benzene;but-1-enylbenzene
CID 157481332
(Z)-5-phenyl-2-N,2-N-dipropylpent-4-ene-1,2-diamine
CID 82042471
[(E,2R)-5-phenylpent-4-en-2-yl]benzene
CID 102293607
2-[(E)-2-phenylethenyl]pentanenitrile
CID 102025901
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
3-ethyl-6-phenylhex-5-en-2-one
CID 76864530
2-(N-ethylanilino)butanenitrile
CID 21413076
2-(dimethylamino)-4-phenylbut-3-enenitrile
CID 73110319

Frequently Asked Questions

What is the IUPAC name of (E)-2-(diethylamino)-5-phenylpent-4-enenitrile?
The IUPAC name of (E)-2-(diethylamino)-5-phenylpent-4-enenitrile (CID 102076929) is (E)-2-(diethylamino)-5-phenylpent-4-enenitrile.
What is the SMILES notation for (E)-2-(diethylamino)-5-phenylpent-4-enenitrile?
The canonical SMILES for (E)-2-(diethylamino)-5-phenylpent-4-enenitrile is CCN(CC)C(C#N)C/C=C/c1ccccc1.
What is the InChIKey of (E)-2-(diethylamino)-5-phenylpent-4-enenitrile?
The InChIKey is VAYHKZXDHQRGQZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H20N2/c1-3-17(4-2)15(13-16)12-8-11-14-9-6-5-7-10-14/h5-11,15H,3-4,12H2,1-2H3/b11-8+.
What are the key properties of (E)-2-(diethylamino)-5-phenylpent-4-enenitrile?
(E)-2-(diethylamino)-5-phenylpent-4-enenitrile has a molecular weight of 228.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(diethylamino)-5-phenylpent-4-enenitrile is sourced from PubChem (CID 102076929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).