N,N-dimethyl-2-phenylpent-4-eneselenoamide

C13H17NSe — CID 11323079

IUPACN,N-dimethyl-2-phenylpent-4-eneselenoamide
SMILESC=CCC(C(=[Se])N(C)C)c1ccccc1
InChIInChI=1S/C13H17NSe/c1-4-8-12(13(15)14(2)3)11-9-6-5-7-10-11/h4-7,9-10,12H,1,8H2,2-3H3
InChIKeyYDZHKOSHIYJDQJ-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.21
Rot. Bonds5

About N,N-dimethyl-2-phenylpent-4-eneselenoamide

N,N-dimethyl-2-phenylpent-4-eneselenoamide (PubChem CID 11323079) has the molecular formula C13H17NSe and a molecular weight of 266.25 g/mol. Its IUPAC name is N,N-dimethyl-2-phenylpent-4-eneselenoamide.

Molecular Properties

Compound NameN,N-dimethyl-2-phenylpent-4-eneselenoamide
PubChem CID11323079
Molecular FormulaC13H17NSe
Molecular Weight266.25 g/mol
Exact Mass267.05
IUPAC NameN,N-dimethyl-2-phenylpent-4-eneselenoamide
SMILESC=CCC(C(=[Se])N(C)C)c1ccccc1
InChIInChI=1S/C13H17NSe/c1-4-8-12(13(15)14(2)3)11-9-6-5-7-10-11/h4-7,9-10,12H,1,8H2,2-3H3
InChIKeyYDZHKOSHIYJDQJ-UHFFFAOYSA-N
XLogP2.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.21
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'}

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Related Compounds

3-phenylhexa-1,5-dien-2-ol
CID 173444348
2-phenyl-1-propan-2-ylsulfanylpent-4-ene-1-selone
CID 101019943
4,6-diphenylnona-1,8-dien-5-one
CID 69419927
2-phenyl-1-propylsulfanylpent-4-ene-1-selone
CID 11066415
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057
(2S,3R)-3-phenylhex-5-en-2-ol
CID 129363226
ethyl 3-oxo-4-phenylhept-6-enoate
CID 11746930
(2S)-1,1-diphenylpent-4-en-2-ol
CID 11390776
(2S)-N,2-dimethyl-N-[(1S)-1-phenylethyl]pent-4-en-1-amine
CID 102122071
N,N-dimethyl-3-phenylhex-5-en-1-amine;hydrochloride
CID 3046459
(1-iodo-2-prop-2-enylpent-4-enyl)benzene
CID 141223385

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-phenylpent-4-eneselenoamide?
The IUPAC name of N,N-dimethyl-2-phenylpent-4-eneselenoamide (CID 11323079) is N,N-dimethyl-2-phenylpent-4-eneselenoamide.
What is the SMILES notation for N,N-dimethyl-2-phenylpent-4-eneselenoamide?
The canonical SMILES for N,N-dimethyl-2-phenylpent-4-eneselenoamide is C=CCC(C(=[Se])N(C)C)c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-phenylpent-4-eneselenoamide?
The InChIKey is YDZHKOSHIYJDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NSe/c1-4-8-12(13(15)14(2)3)11-9-6-5-7-10-11/h4-7,9-10,12H,1,8H2,2-3H3.
What are the key properties of N,N-dimethyl-2-phenylpent-4-eneselenoamide?
N,N-dimethyl-2-phenylpent-4-eneselenoamide has a molecular weight of 266.25 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-phenylpent-4-eneselenoamide is sourced from PubChem (CID 11323079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).