(E)-N,N-dimethyl-3-tributylstannylprop-2-enamide

C17H35NOSn — CID 19785799

IUPAC(E)-N,N-dimethyl-3-tributylstannylprop-2-enamide
SMILESCCCC[Sn](/C=C/C(=O)N(C)C)(CCCC)CCCC
InChIInChI=1S/C5H8NO.3C4H9.Sn/c1-4-5(7)6(2)3;3*1-3-4-2;/h1,4H,2-3H3;3*1,3-4H2,2H3;
InChIKeyYYHQFGKSJTWJQX-UHFFFAOYSA-N
MW388.18 g/mol
LogP5.02
Rot. Bonds11

About (E)-N,N-dimethyl-3-tributylstannylprop-2-enamide

(E)-N,N-dimethyl-3-tributylstannylprop-2-enamide (PubChem CID 19785799) has the molecular formula C17H35NOSn and a molecular weight of 388.18 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-tributylstannylprop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-tributylstannylprop-2-enamide
PubChem CID19785799
Molecular FormulaC17H35NOSn
Molecular Weight388.18 g/mol
Exact Mass389.17
IUPAC Name(E)-N,N-dimethyl-3-tributylstannylprop-2-enamide
SMILESCCCC[Sn](/C=C/C(=O)N(C)C)(CCCC)CCCC
InChIInChI=1S/C5H8NO.3C4H9.Sn/c1-4-5(7)6(2)3;3*1-3-4-2;/h1,4H,2-3H3;3*1,3-4H2,2H3;
InChIKeyYYHQFGKSJTWJQX-UHFFFAOYSA-N
XLogP5.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.18
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
(2Z,4E)-3-methyl-5-tributylstannylpenta-2,4-dienoic acid
CID 11050736
N,N-dimethylpentadec-2-enamide
CID 123899063
(E)-4-tributylstannylbut-3-enoic acid
CID 11767530
N,N-dimethyldeca-2,4-dienamide
CID 123964212
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-tributylstannylbut-3-en-2-one
CID 11488700
tri(propan-2-yl)silyl (2E,4E,6E)-7-tributylstannylhepta-2,4,6-trienoate
CID 11766953
trimethyl-[(Z)-2-tributylstannylethenyl]silane
CID 12516692
(E)-N,N-dimethylpent-2-enamide;ethane
CID 162375612
[(E)-4-tributylstannylbut-3-en-2-yl] acetate
CID 14112699
(2Z,4E)-5-tributylstannylpenta-2,4-dien-1-ol
CID 172715105
(E)-3-tributylstannylprop-2-en-1-amine
CID 45040600

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-tributylstannylprop-2-enamide?
The IUPAC name of (E)-N,N-dimethyl-3-tributylstannylprop-2-enamide (CID 19785799) is (E)-N,N-dimethyl-3-tributylstannylprop-2-enamide.
What is the SMILES notation for (E)-N,N-dimethyl-3-tributylstannylprop-2-enamide?
The canonical SMILES for (E)-N,N-dimethyl-3-tributylstannylprop-2-enamide is CCCC[Sn](/C=C/C(=O)N(C)C)(CCCC)CCCC.
What is the InChIKey of (E)-N,N-dimethyl-3-tributylstannylprop-2-enamide?
The InChIKey is YYHQFGKSJTWJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8NO.3C4H9.Sn/c1-4-5(7)6(2)3;3*1-3-4-2;/h1,4H,2-3H3;3*1,3-4H2,2H3;.
What are the key properties of (E)-N,N-dimethyl-3-tributylstannylprop-2-enamide?
(E)-N,N-dimethyl-3-tributylstannylprop-2-enamide has a molecular weight of 388.18 g/mol, XLogP of 5.02, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-tributylstannylprop-2-enamide is sourced from PubChem (CID 19785799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).