(Z)-N-methyl-3-phenylselanyl-N-prop-2-enylhex-2-enamide

C16H21NOSe — CID 11255717

IUPAC(Z)-N-methyl-3-phenylselanyl-N-prop-2-enylhex-2-enamide
SMILESC=CCN(C)C(=O)/C=C(/CCC)[Se]c1ccccc1
InChIInChI=1S/C16H21NOSe/c1-4-9-15(13-16(18)17(3)12-5-2)19-14-10-7-6-8-11-14/h5-8,10-11,13H,2,4,9,12H2,1,3H3/b15-13-
InChIKeyYLXQFMROQZJVNB-SQFISAMPSA-N
MW322.31 g/mol
LogP2.34
Rot. Bonds7

About (Z)-N-methyl-3-phenylselanyl-N-prop-2-enylhex-2-enamide

(Z)-N-methyl-3-phenylselanyl-N-prop-2-enylhex-2-enamide (PubChem CID 11255717) has the molecular formula C16H21NOSe and a molecular weight of 322.31 g/mol. Its IUPAC name is (Z)-N-methyl-3-phenylselanyl-N-prop-2-enylhex-2-enamide.

Molecular Properties

Compound Name(Z)-N-methyl-3-phenylselanyl-N-prop-2-enylhex-2-enamide
PubChem CID11255717
Molecular FormulaC16H21NOSe
Molecular Weight322.31 g/mol
Exact Mass323.08
IUPAC Name(Z)-N-methyl-3-phenylselanyl-N-prop-2-enylhex-2-enamide
SMILESC=CCN(C)C(=O)/C=C(/CCC)[Se]c1ccccc1
InChIInChI=1S/C16H21NOSe/c1-4-9-15(13-16(18)17(3)12-5-2)19-14-10-7-6-8-11-14/h5-8,10-11,13H,2,4,9,12H2,1,3H3/b15-13-
InChIKeyYLXQFMROQZJVNB-SQFISAMPSA-N
XLogP2.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-3-phenylselanyl-N-prop-2-enylhex-2-enamide?
The IUPAC name of (Z)-N-methyl-3-phenylselanyl-N-prop-2-enylhex-2-enamide (CID 11255717) is (Z)-N-methyl-3-phenylselanyl-N-prop-2-enylhex-2-enamide.
What is the SMILES notation for (Z)-N-methyl-3-phenylselanyl-N-prop-2-enylhex-2-enamide?
The canonical SMILES for (Z)-N-methyl-3-phenylselanyl-N-prop-2-enylhex-2-enamide is C=CCN(C)C(=O)/C=C(/CCC)[Se]c1ccccc1.
What is the InChIKey of (Z)-N-methyl-3-phenylselanyl-N-prop-2-enylhex-2-enamide?
The InChIKey is YLXQFMROQZJVNB-SQFISAMPSA-N. The full InChI is InChI=1S/C16H21NOSe/c1-4-9-15(13-16(18)17(3)12-5-2)19-14-10-7-6-8-11-14/h5-8,10-11,13H,2,4,9,12H2,1,3H3/b15-13-.
What are the key properties of (Z)-N-methyl-3-phenylselanyl-N-prop-2-enylhex-2-enamide?
(Z)-N-methyl-3-phenylselanyl-N-prop-2-enylhex-2-enamide has a molecular weight of 322.31 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-3-phenylselanyl-N-prop-2-enylhex-2-enamide is sourced from PubChem (CID 11255717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).